#METABOLOMICS WORKBENCH shuohan_20210206_090454 DATATRACK_ID:2456 STUDY_ID:ST001683 ANALYSIS_ID:AN002748 PROJECT_ID:PR001082
VERSION             	1
CREATED_ON             	February 8, 2021, 12:16 pm
#PROJECT
PR:PROJECT_TITLE                 	A gut microbe-focused metabolomics pipeline enables mechanistic interrogation of
PR:PROJECT_TITLE                 	microbiome metabolism.
PR:PROJECT_SUMMARY               	Gut microbes modulate host phenotypes and are associated with numerous health
PR:PROJECT_SUMMARY               	effects in humans, ranging from cancer immunotherapy response to metabolic
PR:PROJECT_SUMMARY               	disease and obesity. However, difficulty in accurate and high-throughput
PR:PROJECT_SUMMARY               	functional analysis of human gut microbes has hindered defining mechanistic
PR:PROJECT_SUMMARY               	connections between individual microbial strains and host phenotypes. One key
PR:PROJECT_SUMMARY               	way the gut microbiome influences host physiology is through the production of
PR:PROJECT_SUMMARY               	small molecules hindered by limited tools calibrated to detect products of
PR:PROJECT_SUMMARY               	anaerobic biochemistry in the gut. Here we construct a microbiome-focused,
PR:PROJECT_SUMMARY               	integrated mass-spectrometry pipeline to accelerate the identification of
PR:PROJECT_SUMMARY               	microbiota-dependent metabolites (MDMs) in diverse sample types. We report the
PR:PROJECT_SUMMARY               	metabolic profiles of 178 gut microbe strains using our library of 833
PR:PROJECT_SUMMARY               	metabolites. Leveraging this metabolomics resource we establish deviations in
PR:PROJECT_SUMMARY               	the relationships between phylogeny and metabolism, use machine learning to
PR:PROJECT_SUMMARY               	discover novel metabolism in Bacteroides, and employ comparative genomics-based
PR:PROJECT_SUMMARY               	discovery of candidate biochemical pathways. MDMs can be detected in diverse
PR:PROJECT_SUMMARY               	body fluids in gnotobiotic and conventional mice and traced back to
PR:PROJECT_SUMMARY               	corresponding metabolomic profiles of cultured bacteria. Collectively, our
PR:PROJECT_SUMMARY               	microbiome-focused metabolomics pipeline and interactive metabolomics profile
PR:PROJECT_SUMMARY               	explorer are a powerful tool for characterizing microbe and microbe-host
PR:PROJECT_SUMMARY               	interactions.
PR:INSTITUTE                     	Stanford University
PR:DEPARTMENT                    	Microbiology & Immunology
PR:LABORATORY                    	Justin Sonnenburg
PR:LAST_NAME                     	Han
PR:FIRST_NAME                    	Shuo
PR:ADDRESS                       	299 Campus Drive, Stanford, CA, 94305-5124, USA
PR:EMAIL                         	shuohan@stanford.edu
PR:PHONE                         	-
PR:PUBLICATIONS                  	not published, status to be updated
#STUDY
ST:STUDY_TITLE                   	A gut microbe-focused metabolomics pipeline enables mechanistic interrogation of
ST:STUDY_TITLE                   	microbiome metabolism.
ST:STUDY_SUMMARY                 	Gut microbes modulate host phenotypes and are associated with numerous health
ST:STUDY_SUMMARY                 	effects in humans, ranging from cancer immunotherapy response to metabolic
ST:STUDY_SUMMARY                 	disease and obesity. However, difficulty in accurate and high-throughput
ST:STUDY_SUMMARY                 	functional analysis of human gut microbes has hindered defining mechanistic
ST:STUDY_SUMMARY                 	connections between individual microbial strains and host phenotypes. One key
ST:STUDY_SUMMARY                 	way the gut microbiome influences host physiology is through the production of
ST:STUDY_SUMMARY                 	small molecules hindered by limited tools calibrated to detect products of
ST:STUDY_SUMMARY                 	anaerobic biochemistry in the gut. Here we construct a microbiome-focused,
ST:STUDY_SUMMARY                 	integrated mass-spectrometry pipeline to accelerate the identification of
ST:STUDY_SUMMARY                 	microbiota-dependent metabolites (MDMs) in diverse sample types. We report the
ST:STUDY_SUMMARY                 	metabolic profiles of 178 gut microbe strains using our library of 833
ST:STUDY_SUMMARY                 	metabolites. Leveraging this metabolomics resource we establish deviations in
ST:STUDY_SUMMARY                 	the relationships between phylogeny and metabolism, use machine learning to
ST:STUDY_SUMMARY                 	discover novel metabolism in Bacteroides, and employ comparative genomics-based
ST:STUDY_SUMMARY                 	discovery of candidate biochemical pathways. MDMs can be detected in diverse
ST:STUDY_SUMMARY                 	body fluids in gnotobiotic and conventional mice and traced back to
ST:STUDY_SUMMARY                 	corresponding metabolomic profiles of cultured bacteria. Collectively, our
ST:STUDY_SUMMARY                 	microbiome-focused metabolomics pipeline and interactive metabolomics profile
ST:STUDY_SUMMARY                 	explorer are a powerful tool for characterizing microbe and microbe-host
ST:STUDY_SUMMARY                 	interactions.
ST:INSTITUTE                     	Stanford University
ST:DEPARTMENT                    	Microbiology & Immunology
ST:LABORATORY                    	Justin Sonnenburg
ST:LAST_NAME                     	Han
ST:FIRST_NAME                    	Shuo
ST:ADDRESS                       	299 Campus Drive, Stanford, CA, 94305-5124, USA
ST:EMAIL                         	shuohan@stanford.edu
ST:PHONE                         	-
ST:PUBLICATIONS                  	not published, status to be updated
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
SU:GENOTYPE_STRAIN               	Swiss Webster
SU:AGE_OR_AGE_RANGE              	10-14 weeks
SU:GENDER                        	Male
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data
SUBJECT_SAMPLE_FACTORS           	-	s0022	Experiment:community | Sample_type:feces | Colonization:germ-free	RAW_FILE_NAME=s0022
SUBJECT_SAMPLE_FACTORS           	-	s0029	Experiment:community | Sample_type:feces | Colonization:germ-free	RAW_FILE_NAME=s0029
SUBJECT_SAMPLE_FACTORS           	-	s0034	Experiment:community | Sample_type:feces | Colonization:germ-free	RAW_FILE_NAME=s0034
SUBJECT_SAMPLE_FACTORS           	-	s0054	Experiment:community | Sample_type:feces | Colonization:Bt_Ca_Er_Pd_Et	RAW_FILE_NAME=s0054
SUBJECT_SAMPLE_FACTORS           	-	s0070	Experiment:community | Sample_type:feces | Colonization:Bt_Ca_Er_Pd_Et	RAW_FILE_NAME=s0070
SUBJECT_SAMPLE_FACTORS           	-	s0082	Experiment:community | Sample_type:feces | Colonization:Cs_Bt_Ca_Er_Pd_Et	RAW_FILE_NAME=s0082
SUBJECT_SAMPLE_FACTORS           	-	s0092	Experiment:community | Sample_type:feces | Colonization:Cs_Bt_Ca_Er_Pd_Et	RAW_FILE_NAME=s0092
SUBJECT_SAMPLE_FACTORS           	-	s0100	Experiment:community | Sample_type:feces | Colonization:Cs_Bt_Ca_Er_Pd_Et	RAW_FILE_NAME=s0100
SUBJECT_SAMPLE_FACTORS           	-	s0161	Experiment:community | Sample_type:caecal | Colonization:germ-free	RAW_FILE_NAME=s0161
SUBJECT_SAMPLE_FACTORS           	-	s0162	Experiment:community | Sample_type:caecal | Colonization:germ-free	RAW_FILE_NAME=s0162
SUBJECT_SAMPLE_FACTORS           	-	s0163	Experiment:community | Sample_type:caecal | Colonization:germ-free	RAW_FILE_NAME=s0163
SUBJECT_SAMPLE_FACTORS           	-	s0167	Experiment:community | Sample_type:caecal | Colonization:germ-free	RAW_FILE_NAME=s0167
SUBJECT_SAMPLE_FACTORS           	-	s0168	Experiment:community | Sample_type:caecal | Colonization:germ-free	RAW_FILE_NAME=s0168
SUBJECT_SAMPLE_FACTORS           	-	s0169	Experiment:community | Sample_type:caecal | Colonization:germ-free	RAW_FILE_NAME=s0169
SUBJECT_SAMPLE_FACTORS           	-	s0170	Experiment:community | Sample_type:caecal | Colonization:germ-free	RAW_FILE_NAME=s0170
SUBJECT_SAMPLE_FACTORS           	-	s0171	Experiment:community | Sample_type:caecal | Colonization:germ-free	RAW_FILE_NAME=s0171
SUBJECT_SAMPLE_FACTORS           	-	s0172	Experiment:community | Sample_type:caecal | Colonization:germ-free	RAW_FILE_NAME=s0172
SUBJECT_SAMPLE_FACTORS           	-	s0176	Experiment:community | Sample_type:caecal | Colonization:Bt_Ca_Er_Pd_Et	RAW_FILE_NAME=s0176
SUBJECT_SAMPLE_FACTORS           	-	s0177	Experiment:community | Sample_type:caecal | Colonization:Bt_Ca_Er_Pd_Et	RAW_FILE_NAME=s0177
SUBJECT_SAMPLE_FACTORS           	-	s0178	Experiment:community | Sample_type:caecal | Colonization:Bt_Ca_Er_Pd_Et	RAW_FILE_NAME=s0178
SUBJECT_SAMPLE_FACTORS           	-	s0185	Experiment:community | Sample_type:caecal | Colonization:Bt_Ca_Er_Pd_Et	RAW_FILE_NAME=s0185
SUBJECT_SAMPLE_FACTORS           	-	s0186	Experiment:community | Sample_type:caecal | Colonization:Bt_Ca_Er_Pd_Et	RAW_FILE_NAME=s0186
SUBJECT_SAMPLE_FACTORS           	-	s0187	Experiment:community | Sample_type:caecal | Colonization:Bt_Ca_Er_Pd_Et	RAW_FILE_NAME=s0187
SUBJECT_SAMPLE_FACTORS           	-	s0194	Experiment:community | Sample_type:caecal | Colonization:Bt_Ca_Er_Pd_Et	RAW_FILE_NAME=s0194
SUBJECT_SAMPLE_FACTORS           	-	s0195	Experiment:community | Sample_type:caecal | Colonization:Bt_Ca_Er_Pd_Et	RAW_FILE_NAME=s0195
SUBJECT_SAMPLE_FACTORS           	-	s0196	Experiment:community | Sample_type:caecal | Colonization:Bt_Ca_Er_Pd_Et	RAW_FILE_NAME=s0196
SUBJECT_SAMPLE_FACTORS           	-	s0200	Experiment:community | Sample_type:caecal | Colonization:Cs_Bt_Ca_Er_Pd_Et	RAW_FILE_NAME=s0200
SUBJECT_SAMPLE_FACTORS           	-	s0201	Experiment:community | Sample_type:caecal | Colonization:Cs_Bt_Ca_Er_Pd_Et	RAW_FILE_NAME=s0201
SUBJECT_SAMPLE_FACTORS           	-	s0202	Experiment:community | Sample_type:caecal | Colonization:Cs_Bt_Ca_Er_Pd_Et	RAW_FILE_NAME=s0202
SUBJECT_SAMPLE_FACTORS           	-	s0212	Experiment:community | Sample_type:caecal | Colonization:Cs_Bt_Ca_Er_Pd_Et	RAW_FILE_NAME=s0212
SUBJECT_SAMPLE_FACTORS           	-	s0213	Experiment:community | Sample_type:caecal | Colonization:Cs_Bt_Ca_Er_Pd_Et	RAW_FILE_NAME=s0213
SUBJECT_SAMPLE_FACTORS           	-	s0214	Experiment:community | Sample_type:caecal | Colonization:Cs_Bt_Ca_Er_Pd_Et	RAW_FILE_NAME=s0214
SUBJECT_SAMPLE_FACTORS           	-	s0218	Experiment:community | Sample_type:caecal | Colonization:Cs_Bt_Ca_Er_Pd_Et	RAW_FILE_NAME=s0218
SUBJECT_SAMPLE_FACTORS           	-	s0219	Experiment:community | Sample_type:caecal | Colonization:Cs_Bt_Ca_Er_Pd_Et	RAW_FILE_NAME=s0219
SUBJECT_SAMPLE_FACTORS           	-	s0220	Experiment:community | Sample_type:caecal | Colonization:Cs_Bt_Ca_Er_Pd_Et	RAW_FILE_NAME=s0220
SUBJECT_SAMPLE_FACTORS           	-	s0227	Experiment:community | Sample_type:urine | Colonization:germ-free	RAW_FILE_NAME=s0227
SUBJECT_SAMPLE_FACTORS           	-	s0231	Experiment:community | Sample_type:urine | Colonization:germ-free	RAW_FILE_NAME=s0231
SUBJECT_SAMPLE_FACTORS           	-	s0236	Experiment:community | Sample_type:urine | Colonization:germ-free	RAW_FILE_NAME=s0236
SUBJECT_SAMPLE_FACTORS           	-	s0245	Experiment:community | Sample_type:urine | Colonization:Cs_Bt_Ca_Er_Pd_Et	RAW_FILE_NAME=s0245
SUBJECT_SAMPLE_FACTORS           	-	s0250	Experiment:community | Sample_type:urine | Colonization:Cs_Bt_Ca_Er_Pd_Et	RAW_FILE_NAME=s0250
SUBJECT_SAMPLE_FACTORS           	-	s0254	Experiment:community | Sample_type:urine | Colonization:Cs_Bt_Ca_Er_Pd_Et	RAW_FILE_NAME=s0254
SUBJECT_SAMPLE_FACTORS           	-	s0259	Experiment:community | Sample_type:urine | Colonization:Cs_Bt_Ca_Er_Pd_Et	RAW_FILE_NAME=s0259
SUBJECT_SAMPLE_FACTORS           	-	s0272	Experiment:community | Sample_type:urine | Colonization:Cs_Bt_Ca_Er_Pd_Et	RAW_FILE_NAME=s0272
SUBJECT_SAMPLE_FACTORS           	-	s0277	Experiment:community | Sample_type:urine | Colonization:Cs_Bt_Ca_Er_Pd_Et	RAW_FILE_NAME=s0277
SUBJECT_SAMPLE_FACTORS           	-	s0281	Experiment:community | Sample_type:urine | Colonization:Bt_Ca_Er_Pd_Et	RAW_FILE_NAME=s0281
SUBJECT_SAMPLE_FACTORS           	-	s0286	Experiment:community | Sample_type:urine | Colonization:Bt_Ca_Er_Pd_Et	RAW_FILE_NAME=s0286
SUBJECT_SAMPLE_FACTORS           	-	s0290	Experiment:community | Sample_type:urine | Colonization:Bt_Ca_Er_Pd_Et	RAW_FILE_NAME=s0290
SUBJECT_SAMPLE_FACTORS           	-	s0295	Experiment:community | Sample_type:urine | Colonization:Bt_Ca_Er_Pd_Et	RAW_FILE_NAME=s0295
SUBJECT_SAMPLE_FACTORS           	-	s0304	Experiment:community | Sample_type:urine | Colonization:Bt_Ca_Er_Pd_Et	RAW_FILE_NAME=s0304
SUBJECT_SAMPLE_FACTORS           	-	s0309	Experiment:community | Sample_type:urine | Colonization:Bt_Ca_Er_Pd_Et	RAW_FILE_NAME=s0309
SUBJECT_SAMPLE_FACTORS           	-	s0314	Experiment:community | Sample_type:urine | Colonization:Bt_Ca_Er_Pd_Et	RAW_FILE_NAME=s0314
SUBJECT_SAMPLE_FACTORS           	-	s0355	Experiment:community | Sample_type:serum | Colonization:Bt_Ca_Er_Pd_Et	RAW_FILE_NAME=s0355
SUBJECT_SAMPLE_FACTORS           	-	s0356	Experiment:community | Sample_type:serum | Colonization:Cs_Bt_Ca_Er_Pd_Et	RAW_FILE_NAME=s0356
SUBJECT_SAMPLE_FACTORS           	-	s0357	Experiment:community | Sample_type:serum | Colonization:Cs_Bt_Ca_Er_Pd_Et	RAW_FILE_NAME=s0357
SUBJECT_SAMPLE_FACTORS           	-	s0358	Experiment:community | Sample_type:serum | Colonization:germ-free	RAW_FILE_NAME=s0358
SUBJECT_SAMPLE_FACTORS           	-	s0359	Experiment:community | Sample_type:serum | Colonization:Bt_Ca_Er_Pd_Et	RAW_FILE_NAME=s0359
SUBJECT_SAMPLE_FACTORS           	-	s0360	Experiment:community | Sample_type:serum | Colonization:Cs_Bt_Ca_Er_Pd_Et	RAW_FILE_NAME=s0360
SUBJECT_SAMPLE_FACTORS           	-	s0361	Experiment:community | Sample_type:serum | Colonization:Cs_Bt_Ca_Er_Pd_Et	RAW_FILE_NAME=s0361
SUBJECT_SAMPLE_FACTORS           	-	s0362	Experiment:community | Sample_type:serum | Colonization:Bt_Ca_Er_Pd_Et	RAW_FILE_NAME=s0362
SUBJECT_SAMPLE_FACTORS           	-	s0363	Experiment:community | Sample_type:serum | Colonization:Bt_Ca_Er_Pd_Et	RAW_FILE_NAME=s0363
SUBJECT_SAMPLE_FACTORS           	-	s0364	Experiment:community | Sample_type:serum | Colonization:germ-free	RAW_FILE_NAME=s0364
SUBJECT_SAMPLE_FACTORS           	-	s0365	Experiment:community | Sample_type:serum | Colonization:germ-free	RAW_FILE_NAME=s0365
SUBJECT_SAMPLE_FACTORS           	-	s0366	Experiment:community | Sample_type:serum | Colonization:Bt_Ca_Er_Pd_Et	RAW_FILE_NAME=s0366
SUBJECT_SAMPLE_FACTORS           	-	s0367	Experiment:community | Sample_type:serum | Colonization:Bt_Ca_Er_Pd_Et	RAW_FILE_NAME=s0367
SUBJECT_SAMPLE_FACTORS           	-	s0368	Experiment:community | Sample_type:serum | Colonization:Bt_Ca_Er_Pd_Et	RAW_FILE_NAME=s0368
SUBJECT_SAMPLE_FACTORS           	-	s0369	Experiment:community | Sample_type:serum | Colonization:Cs_Bt_Ca_Er_Pd_Et	RAW_FILE_NAME=s0369
SUBJECT_SAMPLE_FACTORS           	-	s0370	Experiment:community | Sample_type:serum | Colonization:germ-free	RAW_FILE_NAME=s0370
SUBJECT_SAMPLE_FACTORS           	-	s0371	Experiment:community | Sample_type:serum | Colonization:germ-free	RAW_FILE_NAME=s0371
SUBJECT_SAMPLE_FACTORS           	-	s0372	Experiment:community | Sample_type:serum | Colonization:Cs_Bt_Ca_Er_Pd_Et	RAW_FILE_NAME=s0372
SUBJECT_SAMPLE_FACTORS           	-	s0373	Experiment:community | Sample_type:serum | Colonization:Cs_Bt_Ca_Er_Pd_Et	RAW_FILE_NAME=s0373
SUBJECT_SAMPLE_FACTORS           	-	s0374	Experiment:community | Sample_type:serum | Colonization:Bt_Ca_Er_Pd_Et	RAW_FILE_NAME=s0374
SUBJECT_SAMPLE_FACTORS           	-	s1001	Experiment:mono-colonization | Sample_type:feces | Colonization:germ-free	RAW_FILE_NAME=s1001
SUBJECT_SAMPLE_FACTORS           	-	s1002	Experiment:mono-colonization | Sample_type:feces | Colonization:germ-free	RAW_FILE_NAME=s1002
SUBJECT_SAMPLE_FACTORS           	-	s1003	Experiment:mono-colonization | Sample_type:feces | Colonization:germ-free	RAW_FILE_NAME=s1003
SUBJECT_SAMPLE_FACTORS           	-	s1004	Experiment:mono-colonization | Sample_type:feces | Colonization:germ-free	RAW_FILE_NAME=s1004
SUBJECT_SAMPLE_FACTORS           	-	s1005	Experiment:mono-colonization | Sample_type:feces | Colonization:Bt	RAW_FILE_NAME=s1005
SUBJECT_SAMPLE_FACTORS           	-	s1006	Experiment:mono-colonization | Sample_type:feces | Colonization:Bt	RAW_FILE_NAME=s1006
SUBJECT_SAMPLE_FACTORS           	-	s1007	Experiment:mono-colonization | Sample_type:feces | Colonization:Bt	RAW_FILE_NAME=s1007
SUBJECT_SAMPLE_FACTORS           	-	s1008	Experiment:mono-colonization | Sample_type:feces | Colonization:Bt	RAW_FILE_NAME=s1008
SUBJECT_SAMPLE_FACTORS           	-	s1009	Experiment:mono-colonization | Sample_type:feces | Colonization:Bt	RAW_FILE_NAME=s1009
SUBJECT_SAMPLE_FACTORS           	-	s1010	Experiment:mono-colonization | Sample_type:feces | Colonization:Cs	RAW_FILE_NAME=s1010
SUBJECT_SAMPLE_FACTORS           	-	s1011	Experiment:mono-colonization | Sample_type:feces | Colonization:Cs	RAW_FILE_NAME=s1011
SUBJECT_SAMPLE_FACTORS           	-	s1012	Experiment:mono-colonization | Sample_type:feces | Colonization:Cs	RAW_FILE_NAME=s1012
SUBJECT_SAMPLE_FACTORS           	-	s1013	Experiment:mono-colonization | Sample_type:feces | Colonization:Cs	RAW_FILE_NAME=s1013
SUBJECT_SAMPLE_FACTORS           	-	s1014	Experiment:mono-colonization | Sample_type:caecal | Colonization:germ-free	RAW_FILE_NAME=s1014
SUBJECT_SAMPLE_FACTORS           	-	s1015	Experiment:mono-colonization | Sample_type:caecal | Colonization:germ-free	RAW_FILE_NAME=s1015
SUBJECT_SAMPLE_FACTORS           	-	s1016	Experiment:mono-colonization | Sample_type:caecal | Colonization:germ-free	RAW_FILE_NAME=s1016
SUBJECT_SAMPLE_FACTORS           	-	s1017	Experiment:mono-colonization | Sample_type:caecal | Colonization:germ-free	RAW_FILE_NAME=s1017
SUBJECT_SAMPLE_FACTORS           	-	s1018	Experiment:mono-colonization | Sample_type:caecal | Colonization:Bt	RAW_FILE_NAME=s1018
SUBJECT_SAMPLE_FACTORS           	-	s1019	Experiment:mono-colonization | Sample_type:caecal | Colonization:Bt	RAW_FILE_NAME=s1019
SUBJECT_SAMPLE_FACTORS           	-	s1020	Experiment:mono-colonization | Sample_type:caecal | Colonization:Bt	RAW_FILE_NAME=s1020
SUBJECT_SAMPLE_FACTORS           	-	s1021	Experiment:mono-colonization | Sample_type:caecal | Colonization:Bt	RAW_FILE_NAME=s1021
SUBJECT_SAMPLE_FACTORS           	-	s1022	Experiment:mono-colonization | Sample_type:caecal | Colonization:Bt	RAW_FILE_NAME=s1022
SUBJECT_SAMPLE_FACTORS           	-	s1023	Experiment:mono-colonization | Sample_type:caecal | Colonization:Cs	RAW_FILE_NAME=s1023
SUBJECT_SAMPLE_FACTORS           	-	s1024	Experiment:mono-colonization | Sample_type:caecal | Colonization:Cs	RAW_FILE_NAME=s1024
SUBJECT_SAMPLE_FACTORS           	-	s1025	Experiment:mono-colonization | Sample_type:caecal | Colonization:Cs	RAW_FILE_NAME=s1025
SUBJECT_SAMPLE_FACTORS           	-	s1026	Experiment:mono-colonization | Sample_type:caecal | Colonization:Cs	RAW_FILE_NAME=s1026
SUBJECT_SAMPLE_FACTORS           	-	s1027	Experiment:mono-colonization | Sample_type:serum | Colonization:germ-free	RAW_FILE_NAME=s1027
SUBJECT_SAMPLE_FACTORS           	-	s1028	Experiment:mono-colonization | Sample_type:serum | Colonization:germ-free	RAW_FILE_NAME=s1028
SUBJECT_SAMPLE_FACTORS           	-	s1029	Experiment:mono-colonization | Sample_type:serum | Colonization:germ-free	RAW_FILE_NAME=s1029
SUBJECT_SAMPLE_FACTORS           	-	s1030	Experiment:mono-colonization | Sample_type:serum | Colonization:germ-free	RAW_FILE_NAME=s1030
SUBJECT_SAMPLE_FACTORS           	-	s1031	Experiment:mono-colonization | Sample_type:serum | Colonization:Bt	RAW_FILE_NAME=s1031
SUBJECT_SAMPLE_FACTORS           	-	s1032	Experiment:mono-colonization | Sample_type:serum | Colonization:Bt	RAW_FILE_NAME=s1032
SUBJECT_SAMPLE_FACTORS           	-	s1033	Experiment:mono-colonization | Sample_type:serum | Colonization:Bt	RAW_FILE_NAME=s1033
SUBJECT_SAMPLE_FACTORS           	-	s1034	Experiment:mono-colonization | Sample_type:serum | Colonization:Bt	RAW_FILE_NAME=s1034
SUBJECT_SAMPLE_FACTORS           	-	s1035	Experiment:mono-colonization | Sample_type:serum | Colonization:Bt	RAW_FILE_NAME=s1035
SUBJECT_SAMPLE_FACTORS           	-	s1036	Experiment:mono-colonization | Sample_type:serum | Colonization:Cs	RAW_FILE_NAME=s1036
SUBJECT_SAMPLE_FACTORS           	-	s1037	Experiment:mono-colonization | Sample_type:serum | Colonization:Cs	RAW_FILE_NAME=s1037
SUBJECT_SAMPLE_FACTORS           	-	s1038	Experiment:mono-colonization | Sample_type:serum | Colonization:Cs	RAW_FILE_NAME=s1038
SUBJECT_SAMPLE_FACTORS           	-	s1039	Experiment:mono-colonization | Sample_type:serum | Colonization:Cs	RAW_FILE_NAME=s1039
SUBJECT_SAMPLE_FACTORS           	-	s1040	Experiment:mono-colonization | Sample_type:urine | Colonization:germ-free	RAW_FILE_NAME=s1040
SUBJECT_SAMPLE_FACTORS           	-	s1041	Experiment:mono-colonization | Sample_type:urine | Colonization:germ-free	RAW_FILE_NAME=s1041
SUBJECT_SAMPLE_FACTORS           	-	s1042	Experiment:mono-colonization | Sample_type:urine | Colonization:germ-free	RAW_FILE_NAME=s1042
SUBJECT_SAMPLE_FACTORS           	-	s1043	Experiment:mono-colonization | Sample_type:urine | Colonization:Bt	RAW_FILE_NAME=s1043
SUBJECT_SAMPLE_FACTORS           	-	s1044	Experiment:mono-colonization | Sample_type:urine | Colonization:Bt	RAW_FILE_NAME=s1044
SUBJECT_SAMPLE_FACTORS           	-	s1045	Experiment:mono-colonization | Sample_type:urine | Colonization:Bt	RAW_FILE_NAME=s1045
SUBJECT_SAMPLE_FACTORS           	-	s1046	Experiment:mono-colonization | Sample_type:urine | Colonization:Bt	RAW_FILE_NAME=s1046
SUBJECT_SAMPLE_FACTORS           	-	s1047	Experiment:mono-colonization | Sample_type:urine | Colonization:Cs	RAW_FILE_NAME=s1047
SUBJECT_SAMPLE_FACTORS           	-	s1048	Experiment:mono-colonization | Sample_type:urine | Colonization:Cs	RAW_FILE_NAME=s1048
SUBJECT_SAMPLE_FACTORS           	-	s1049	Experiment:mono-colonization | Sample_type:urine | Colonization:Cs	RAW_FILE_NAME=s1049
SUBJECT_SAMPLE_FACTORS           	-	s1050	Experiment:conventional | Sample_type:urine | Colonization:germ-free	RAW_FILE_NAME=s1050
SUBJECT_SAMPLE_FACTORS           	-	s1051	Experiment:conventional | Sample_type:urine | Colonization:germ-free	RAW_FILE_NAME=s1051
SUBJECT_SAMPLE_FACTORS           	-	s1052	Experiment:conventional | Sample_type:urine | Colonization:germ-free	RAW_FILE_NAME=s1052
SUBJECT_SAMPLE_FACTORS           	-	s1053	Experiment:conventional | Sample_type:urine | Colonization:germ-free	RAW_FILE_NAME=s1053
SUBJECT_SAMPLE_FACTORS           	-	s1054	Experiment:conventional | Sample_type:urine | Colonization:conventional	RAW_FILE_NAME=s1054
SUBJECT_SAMPLE_FACTORS           	-	s1055	Experiment:conventional | Sample_type:urine | Colonization:conventional	RAW_FILE_NAME=s1055
SUBJECT_SAMPLE_FACTORS           	-	s1056	Experiment:conventional | Sample_type:urine | Colonization:conventional	RAW_FILE_NAME=s1056
SUBJECT_SAMPLE_FACTORS           	-	s1057	Experiment:conventional | Sample_type:serum | Colonization:germ-free	RAW_FILE_NAME=s1057
SUBJECT_SAMPLE_FACTORS           	-	s1058	Experiment:conventional | Sample_type:serum | Colonization:germ-free	RAW_FILE_NAME=s1058
SUBJECT_SAMPLE_FACTORS           	-	s1059	Experiment:conventional | Sample_type:serum | Colonization:germ-free	RAW_FILE_NAME=s1059
SUBJECT_SAMPLE_FACTORS           	-	s1060	Experiment:conventional | Sample_type:serum | Colonization:germ-free	RAW_FILE_NAME=s1060
SUBJECT_SAMPLE_FACTORS           	-	s1061	Experiment:conventional | Sample_type:serum | Colonization:conventional	RAW_FILE_NAME=s1061
SUBJECT_SAMPLE_FACTORS           	-	s1062	Experiment:conventional | Sample_type:serum | Colonization:conventional	RAW_FILE_NAME=s1062
SUBJECT_SAMPLE_FACTORS           	-	s1063	Experiment:conventional | Sample_type:serum | Colonization:conventional	RAW_FILE_NAME=s1063
SUBJECT_SAMPLE_FACTORS           	-	s1064	Experiment:conventional | Sample_type:caecal | Colonization:germ-free	RAW_FILE_NAME=s1064
SUBJECT_SAMPLE_FACTORS           	-	s1065	Experiment:conventional | Sample_type:caecal | Colonization:germ-free	RAW_FILE_NAME=s1065
SUBJECT_SAMPLE_FACTORS           	-	s1066	Experiment:conventional | Sample_type:caecal | Colonization:germ-free	RAW_FILE_NAME=s1066
SUBJECT_SAMPLE_FACTORS           	-	s1067	Experiment:conventional | Sample_type:caecal | Colonization:germ-free	RAW_FILE_NAME=s1067
SUBJECT_SAMPLE_FACTORS           	-	s1068	Experiment:conventional | Sample_type:feces | Colonization:germ-free	RAW_FILE_NAME=s1068
SUBJECT_SAMPLE_FACTORS           	-	s1069	Experiment:conventional | Sample_type:feces | Colonization:germ-free	RAW_FILE_NAME=s1069
SUBJECT_SAMPLE_FACTORS           	-	s1070	Experiment:conventional | Sample_type:feces | Colonization:germ-free	RAW_FILE_NAME=s1070
SUBJECT_SAMPLE_FACTORS           	-	s1071	Experiment:conventional | Sample_type:feces | Colonization:germ-free	RAW_FILE_NAME=s1071
SUBJECT_SAMPLE_FACTORS           	-	s1072	Experiment:conventional | Sample_type:caecal | Colonization:conventional	RAW_FILE_NAME=s1072
SUBJECT_SAMPLE_FACTORS           	-	s1073	Experiment:conventional | Sample_type:caecal | Colonization:conventional	RAW_FILE_NAME=s1073
SUBJECT_SAMPLE_FACTORS           	-	s1074	Experiment:conventional | Sample_type:caecal | Colonization:conventional	RAW_FILE_NAME=s1074
SUBJECT_SAMPLE_FACTORS           	-	s1075	Experiment:conventional | Sample_type:feces | Colonization:conventional	RAW_FILE_NAME=s1075
SUBJECT_SAMPLE_FACTORS           	-	s1076	Experiment:conventional | Sample_type:feces | Colonization:conventional	RAW_FILE_NAME=s1076
SUBJECT_SAMPLE_FACTORS           	-	s1077	Experiment:conventional | Sample_type:feces | Colonization:conventional	RAW_FILE_NAME=s1077
SUBJECT_SAMPLE_FACTORS           	-	s1078	Experiment:mono-colonization_2 | Sample_type:feces | Colonization:germ-free	RAW_FILE_NAME=s1078
SUBJECT_SAMPLE_FACTORS           	-	s1079	Experiment:mono-colonization_2 | Sample_type:feces | Colonization:germ-free	RAW_FILE_NAME=s1079
SUBJECT_SAMPLE_FACTORS           	-	s1080	Experiment:mono-colonization_2 | Sample_type:feces | Colonization:germ-free	RAW_FILE_NAME=s1080
SUBJECT_SAMPLE_FACTORS           	-	s1081	Experiment:mono-colonization_2 | Sample_type:feces | Colonization:germ-free	RAW_FILE_NAME=s1081
SUBJECT_SAMPLE_FACTORS           	-	s1082	Experiment:mono-colonization_2 | Sample_type:feces | Colonization:As	RAW_FILE_NAME=s1082
SUBJECT_SAMPLE_FACTORS           	-	s1083	Experiment:mono-colonization_2 | Sample_type:feces | Colonization:As	RAW_FILE_NAME=s1083
SUBJECT_SAMPLE_FACTORS           	-	s1084	Experiment:mono-colonization_2 | Sample_type:feces | Colonization:As	RAW_FILE_NAME=s1084
SUBJECT_SAMPLE_FACTORS           	-	s1085	Experiment:mono-colonization_2 | Sample_type:feces | Colonization:As	RAW_FILE_NAME=s1085
SUBJECT_SAMPLE_FACTORS           	-	s1086	Experiment:mono-colonization_2 | Sample_type:feces | Colonization:As	RAW_FILE_NAME=s1086
SUBJECT_SAMPLE_FACTORS           	-	s1087	Experiment:mono-colonization_2 | Sample_type:feces | Colonization:As	RAW_FILE_NAME=s1087
SUBJECT_SAMPLE_FACTORS           	-	s1088	Experiment:mono-colonization_2 | Sample_type:feces | Colonization:As	RAW_FILE_NAME=s1088
SUBJECT_SAMPLE_FACTORS           	-	s1089	Experiment:mono-colonization_2 | Sample_type:feces | Colonization:Cp	RAW_FILE_NAME=s1089
SUBJECT_SAMPLE_FACTORS           	-	s1090	Experiment:mono-colonization_2 | Sample_type:feces | Colonization:Cp	RAW_FILE_NAME=s1090
SUBJECT_SAMPLE_FACTORS           	-	s1091	Experiment:mono-colonization_2 | Sample_type:feces | Colonization:Cp	RAW_FILE_NAME=s1091
SUBJECT_SAMPLE_FACTORS           	-	s1092	Experiment:mono-colonization_2 | Sample_type:feces | Colonization:Cp	RAW_FILE_NAME=s1092
SUBJECT_SAMPLE_FACTORS           	-	s1093	Experiment:mono-colonization_2 | Sample_type:feces | Colonization:Cp	RAW_FILE_NAME=s1093
SUBJECT_SAMPLE_FACTORS           	-	s1094	Experiment:mono-colonization_2 | Sample_type:caecal | Colonization:germ-free	RAW_FILE_NAME=s1094
SUBJECT_SAMPLE_FACTORS           	-	s1095	Experiment:mono-colonization_2 | Sample_type:caecal | Colonization:germ-free	RAW_FILE_NAME=s1095
SUBJECT_SAMPLE_FACTORS           	-	s1096	Experiment:mono-colonization_2 | Sample_type:caecal | Colonization:germ-free	RAW_FILE_NAME=s1096
SUBJECT_SAMPLE_FACTORS           	-	s1097	Experiment:mono-colonization_2 | Sample_type:caecal | Colonization:germ-free	RAW_FILE_NAME=s1097
SUBJECT_SAMPLE_FACTORS           	-	s1098	Experiment:mono-colonization_2 | Sample_type:caecal | Colonization:As	RAW_FILE_NAME=s1098
SUBJECT_SAMPLE_FACTORS           	-	s1099	Experiment:mono-colonization_2 | Sample_type:caecal | Colonization:As	RAW_FILE_NAME=s1099
SUBJECT_SAMPLE_FACTORS           	-	s1100	Experiment:mono-colonization_2 | Sample_type:caecal | Colonization:As	RAW_FILE_NAME=s1100
SUBJECT_SAMPLE_FACTORS           	-	s1101	Experiment:mono-colonization_2 | Sample_type:caecal | Colonization:As	RAW_FILE_NAME=s1101
SUBJECT_SAMPLE_FACTORS           	-	s1102	Experiment:mono-colonization_2 | Sample_type:caecal | Colonization:As	RAW_FILE_NAME=s1102
SUBJECT_SAMPLE_FACTORS           	-	s1103	Experiment:mono-colonization_2 | Sample_type:caecal | Colonization:As	RAW_FILE_NAME=s1103
SUBJECT_SAMPLE_FACTORS           	-	s1104	Experiment:mono-colonization_2 | Sample_type:caecal | Colonization:As	RAW_FILE_NAME=s1104
SUBJECT_SAMPLE_FACTORS           	-	s1105	Experiment:mono-colonization_2 | Sample_type:caecal | Colonization:Cp	RAW_FILE_NAME=s1105
SUBJECT_SAMPLE_FACTORS           	-	s1106	Experiment:mono-colonization_2 | Sample_type:caecal | Colonization:Cp	RAW_FILE_NAME=s1106
SUBJECT_SAMPLE_FACTORS           	-	s1107	Experiment:mono-colonization_2 | Sample_type:caecal | Colonization:Cp	RAW_FILE_NAME=s1107
SUBJECT_SAMPLE_FACTORS           	-	s1108	Experiment:mono-colonization_2 | Sample_type:caecal | Colonization:Cp	RAW_FILE_NAME=s1108
SUBJECT_SAMPLE_FACTORS           	-	s1109	Experiment:mono-colonization_2 | Sample_type:caecal | Colonization:Cp	RAW_FILE_NAME=s1109
SUBJECT_SAMPLE_FACTORS           	-	s1110	Experiment:mono-colonization_2 | Sample_type:urine | Colonization:germ-free	RAW_FILE_NAME=s1110
SUBJECT_SAMPLE_FACTORS           	-	s1111	Experiment:mono-colonization_2 | Sample_type:urine | Colonization:germ-free	RAW_FILE_NAME=s1111
SUBJECT_SAMPLE_FACTORS           	-	s1112	Experiment:mono-colonization_2 | Sample_type:urine | Colonization:germ-free	RAW_FILE_NAME=s1112
SUBJECT_SAMPLE_FACTORS           	-	s1113	Experiment:mono-colonization_2 | Sample_type:urine | Colonization:germ-free	RAW_FILE_NAME=s1113
SUBJECT_SAMPLE_FACTORS           	-	s1114	Experiment:mono-colonization_2 | Sample_type:urine | Colonization:As	RAW_FILE_NAME=s1114
SUBJECT_SAMPLE_FACTORS           	-	s1115	Experiment:mono-colonization_2 | Sample_type:urine | Colonization:As	RAW_FILE_NAME=s1115
SUBJECT_SAMPLE_FACTORS           	-	s1116	Experiment:mono-colonization_2 | Sample_type:urine | Colonization:As	RAW_FILE_NAME=s1116
SUBJECT_SAMPLE_FACTORS           	-	s1117	Experiment:mono-colonization_2 | Sample_type:urine | Colonization:As	RAW_FILE_NAME=s1117
SUBJECT_SAMPLE_FACTORS           	-	s1118	Experiment:mono-colonization_2 | Sample_type:urine | Colonization:As	RAW_FILE_NAME=s1118
SUBJECT_SAMPLE_FACTORS           	-	s1119	Experiment:mono-colonization_2 | Sample_type:urine | Colonization:As	RAW_FILE_NAME=s1119
SUBJECT_SAMPLE_FACTORS           	-	s1120	Experiment:mono-colonization_2 | Sample_type:urine | Colonization:As	RAW_FILE_NAME=s1120
SUBJECT_SAMPLE_FACTORS           	-	s1121	Experiment:mono-colonization_2 | Sample_type:urine | Colonization:Cp	RAW_FILE_NAME=s1121
SUBJECT_SAMPLE_FACTORS           	-	s1122	Experiment:mono-colonization_2 | Sample_type:urine | Colonization:Cp	RAW_FILE_NAME=s1122
SUBJECT_SAMPLE_FACTORS           	-	s1123	Experiment:mono-colonization_2 | Sample_type:urine | Colonization:Cp	RAW_FILE_NAME=s1123
SUBJECT_SAMPLE_FACTORS           	-	s1124	Experiment:mono-colonization_2 | Sample_type:urine | Colonization:Cp	RAW_FILE_NAME=s1124
SUBJECT_SAMPLE_FACTORS           	-	s1125	Experiment:mono-colonization_2 | Sample_type:urine | Colonization:Cp	RAW_FILE_NAME=s1125
SUBJECT_SAMPLE_FACTORS           	-	s1126	Experiment:mono-colonization_2 | Sample_type:serum | Colonization:germ-free	RAW_FILE_NAME=s1126
SUBJECT_SAMPLE_FACTORS           	-	s1127	Experiment:mono-colonization_2 | Sample_type:serum | Colonization:germ-free	RAW_FILE_NAME=s1127
SUBJECT_SAMPLE_FACTORS           	-	s1128	Experiment:mono-colonization_2 | Sample_type:serum | Colonization:germ-free	RAW_FILE_NAME=s1128
SUBJECT_SAMPLE_FACTORS           	-	s1129	Experiment:mono-colonization_2 | Sample_type:serum | Colonization:germ-free	RAW_FILE_NAME=s1129
SUBJECT_SAMPLE_FACTORS           	-	s1130	Experiment:mono-colonization_2 | Sample_type:serum | Colonization:As	RAW_FILE_NAME=s1130
SUBJECT_SAMPLE_FACTORS           	-	s1131	Experiment:mono-colonization_2 | Sample_type:serum | Colonization:As	RAW_FILE_NAME=s1131
SUBJECT_SAMPLE_FACTORS           	-	s1132	Experiment:mono-colonization_2 | Sample_type:serum | Colonization:As	RAW_FILE_NAME=s1132
SUBJECT_SAMPLE_FACTORS           	-	s1133	Experiment:mono-colonization_2 | Sample_type:serum | Colonization:As	RAW_FILE_NAME=s1133
SUBJECT_SAMPLE_FACTORS           	-	s1134	Experiment:mono-colonization_2 | Sample_type:serum | Colonization:As	RAW_FILE_NAME=s1134
SUBJECT_SAMPLE_FACTORS           	-	s1135	Experiment:mono-colonization_2 | Sample_type:serum | Colonization:As	RAW_FILE_NAME=s1135
SUBJECT_SAMPLE_FACTORS           	-	s1136	Experiment:mono-colonization_2 | Sample_type:serum | Colonization:As	RAW_FILE_NAME=s1136
SUBJECT_SAMPLE_FACTORS           	-	s1137	Experiment:mono-colonization_2 | Sample_type:serum | Colonization:Cp	RAW_FILE_NAME=s1137
SUBJECT_SAMPLE_FACTORS           	-	s1138	Experiment:mono-colonization_2 | Sample_type:serum | Colonization:Cp	RAW_FILE_NAME=s1138
SUBJECT_SAMPLE_FACTORS           	-	s1139	Experiment:mono-colonization_2 | Sample_type:serum | Colonization:Cp	RAW_FILE_NAME=s1139
SUBJECT_SAMPLE_FACTORS           	-	s1140	Experiment:mono-colonization_2 | Sample_type:serum | Colonization:Cp	RAW_FILE_NAME=s1140
SUBJECT_SAMPLE_FACTORS           	-	s1141	Experiment:mono-colonization_2 | Sample_type:serum | Colonization:Cp	RAW_FILE_NAME=s1141
SUBJECT_SAMPLE_FACTORS           	-	s1142	Experiment:mono-colonization_2 | Sample_type:feces | Colonization:germ-free	RAW_FILE_NAME=s1142
SUBJECT_SAMPLE_FACTORS           	-	s1143	Experiment:mono-colonization_2 | Sample_type:feces | Colonization:germ-free	RAW_FILE_NAME=s1143
SUBJECT_SAMPLE_FACTORS           	-	s1144	Experiment:mono-colonization_2 | Sample_type:feces | Colonization:germ-free	RAW_FILE_NAME=s1144
SUBJECT_SAMPLE_FACTORS           	-	s1145	Experiment:mono-colonization_2 | Sample_type:feces | Colonization:germ-free	RAW_FILE_NAME=s1145
SUBJECT_SAMPLE_FACTORS           	-	s1146	Experiment:mono-colonization_2 | Sample_type:feces | Colonization:As	RAW_FILE_NAME=s1146
SUBJECT_SAMPLE_FACTORS           	-	s1147	Experiment:mono-colonization_2 | Sample_type:feces | Colonization:As	RAW_FILE_NAME=s1147
SUBJECT_SAMPLE_FACTORS           	-	s1148	Experiment:mono-colonization_2 | Sample_type:feces | Colonization:As	RAW_FILE_NAME=s1148
SUBJECT_SAMPLE_FACTORS           	-	s1149	Experiment:mono-colonization_2 | Sample_type:feces | Colonization:As	RAW_FILE_NAME=s1149
SUBJECT_SAMPLE_FACTORS           	-	s1150	Experiment:mono-colonization_2 | Sample_type:feces | Colonization:As	RAW_FILE_NAME=s1150
SUBJECT_SAMPLE_FACTORS           	-	s1151	Experiment:mono-colonization_2 | Sample_type:feces | Colonization:Cp	RAW_FILE_NAME=s1151
SUBJECT_SAMPLE_FACTORS           	-	s1152	Experiment:mono-colonization_2 | Sample_type:feces | Colonization:Cp	RAW_FILE_NAME=s1152
SUBJECT_SAMPLE_FACTORS           	-	s1153	Experiment:mono-colonization_2 | Sample_type:feces | Colonization:Cp	RAW_FILE_NAME=s1153
SUBJECT_SAMPLE_FACTORS           	-	s1154	Experiment:mono-colonization_2 | Sample_type:feces | Colonization:Cp	RAW_FILE_NAME=s1154
SUBJECT_SAMPLE_FACTORS           	-	s1155	Experiment:mono-colonization_2 | Sample_type:feces | Colonization:Cp	RAW_FILE_NAME=s1155
SUBJECT_SAMPLE_FACTORS           	-	s1156	Experiment:mono-colonization_2 | Sample_type:caecal | Colonization:germ-free	RAW_FILE_NAME=s1156
SUBJECT_SAMPLE_FACTORS           	-	s1157	Experiment:mono-colonization_2 | Sample_type:caecal | Colonization:germ-free	RAW_FILE_NAME=s1157
SUBJECT_SAMPLE_FACTORS           	-	s1158	Experiment:mono-colonization_2 | Sample_type:caecal | Colonization:germ-free	RAW_FILE_NAME=s1158
SUBJECT_SAMPLE_FACTORS           	-	s1159	Experiment:mono-colonization_2 | Sample_type:caecal | Colonization:germ-free	RAW_FILE_NAME=s1159
SUBJECT_SAMPLE_FACTORS           	-	s1160	Experiment:mono-colonization_2 | Sample_type:caecal | Colonization:As	RAW_FILE_NAME=s1160
SUBJECT_SAMPLE_FACTORS           	-	s1161	Experiment:mono-colonization_2 | Sample_type:caecal | Colonization:As	RAW_FILE_NAME=s1161
SUBJECT_SAMPLE_FACTORS           	-	s1162	Experiment:mono-colonization_2 | Sample_type:caecal | Colonization:As	RAW_FILE_NAME=s1162
SUBJECT_SAMPLE_FACTORS           	-	s1163	Experiment:mono-colonization_2 | Sample_type:caecal | Colonization:As	RAW_FILE_NAME=s1163
SUBJECT_SAMPLE_FACTORS           	-	s1164	Experiment:mono-colonization_2 | Sample_type:caecal | Colonization:As	RAW_FILE_NAME=s1164
SUBJECT_SAMPLE_FACTORS           	-	s1165	Experiment:mono-colonization_2 | Sample_type:caecal | Colonization:Cp	RAW_FILE_NAME=s1165
SUBJECT_SAMPLE_FACTORS           	-	s1166	Experiment:mono-colonization_2 | Sample_type:caecal | Colonization:Cp	RAW_FILE_NAME=s1166
SUBJECT_SAMPLE_FACTORS           	-	s1167	Experiment:mono-colonization_2 | Sample_type:caecal | Colonization:Cp	RAW_FILE_NAME=s1167
SUBJECT_SAMPLE_FACTORS           	-	s1168	Experiment:mono-colonization_2 | Sample_type:caecal | Colonization:Cp	RAW_FILE_NAME=s1168
SUBJECT_SAMPLE_FACTORS           	-	s1169	Experiment:mono-colonization_2 | Sample_type:caecal | Colonization:Cp	RAW_FILE_NAME=s1169
SUBJECT_SAMPLE_FACTORS           	-	s1170	Experiment:mono-colonization_2 | Sample_type:urine | Colonization:germ-free	RAW_FILE_NAME=s1170
SUBJECT_SAMPLE_FACTORS           	-	s1171	Experiment:mono-colonization_2 | Sample_type:urine | Colonization:germ-free	RAW_FILE_NAME=s1171
SUBJECT_SAMPLE_FACTORS           	-	s1172	Experiment:mono-colonization_2 | Sample_type:urine | Colonization:germ-free	RAW_FILE_NAME=s1172
SUBJECT_SAMPLE_FACTORS           	-	s1173	Experiment:mono-colonization_2 | Sample_type:urine | Colonization:germ-free	RAW_FILE_NAME=s1173
SUBJECT_SAMPLE_FACTORS           	-	s1174	Experiment:mono-colonization_2 | Sample_type:urine | Colonization:As	RAW_FILE_NAME=s1174
SUBJECT_SAMPLE_FACTORS           	-	s1175	Experiment:mono-colonization_2 | Sample_type:urine | Colonization:As	RAW_FILE_NAME=s1175
SUBJECT_SAMPLE_FACTORS           	-	s1176	Experiment:mono-colonization_2 | Sample_type:urine | Colonization:As	RAW_FILE_NAME=s1176
SUBJECT_SAMPLE_FACTORS           	-	s1177	Experiment:mono-colonization_2 | Sample_type:urine | Colonization:As	RAW_FILE_NAME=s1177
SUBJECT_SAMPLE_FACTORS           	-	s1178	Experiment:mono-colonization_2 | Sample_type:urine | Colonization:As	RAW_FILE_NAME=s1178
SUBJECT_SAMPLE_FACTORS           	-	s1179	Experiment:mono-colonization_2 | Sample_type:urine | Colonization:Cp	RAW_FILE_NAME=s1179
SUBJECT_SAMPLE_FACTORS           	-	s1180	Experiment:mono-colonization_2 | Sample_type:urine | Colonization:Cp	RAW_FILE_NAME=s1180
SUBJECT_SAMPLE_FACTORS           	-	s1181	Experiment:mono-colonization_2 | Sample_type:urine | Colonization:Cp	RAW_FILE_NAME=s1181
SUBJECT_SAMPLE_FACTORS           	-	s1182	Experiment:mono-colonization_2 | Sample_type:urine | Colonization:Cp	RAW_FILE_NAME=s1182
SUBJECT_SAMPLE_FACTORS           	-	s1183	Experiment:mono-colonization_2 | Sample_type:urine | Colonization:Cp	RAW_FILE_NAME=s1183
SUBJECT_SAMPLE_FACTORS           	-	s1184	Experiment:mono-colonization_2 | Sample_type:serum | Colonization:germ-free	RAW_FILE_NAME=s1184
SUBJECT_SAMPLE_FACTORS           	-	s1185	Experiment:mono-colonization_2 | Sample_type:serum | Colonization:germ-free	RAW_FILE_NAME=s1185
SUBJECT_SAMPLE_FACTORS           	-	s1186	Experiment:mono-colonization_2 | Sample_type:serum | Colonization:germ-free	RAW_FILE_NAME=s1186
SUBJECT_SAMPLE_FACTORS           	-	s1187	Experiment:mono-colonization_2 | Sample_type:serum | Colonization:germ-free	RAW_FILE_NAME=s1187
SUBJECT_SAMPLE_FACTORS           	-	s1188	Experiment:mono-colonization_2 | Sample_type:serum | Colonization:As	RAW_FILE_NAME=s1188
SUBJECT_SAMPLE_FACTORS           	-	s1189	Experiment:mono-colonization_2 | Sample_type:serum | Colonization:As	RAW_FILE_NAME=s1189
SUBJECT_SAMPLE_FACTORS           	-	s1190	Experiment:mono-colonization_2 | Sample_type:serum | Colonization:As	RAW_FILE_NAME=s1190
SUBJECT_SAMPLE_FACTORS           	-	s1191	Experiment:mono-colonization_2 | Sample_type:serum | Colonization:As	RAW_FILE_NAME=s1191
SUBJECT_SAMPLE_FACTORS           	-	s1192	Experiment:mono-colonization_2 | Sample_type:serum | Colonization:As	RAW_FILE_NAME=s1192
SUBJECT_SAMPLE_FACTORS           	-	s1193	Experiment:mono-colonization_2 | Sample_type:serum | Colonization:Cp	RAW_FILE_NAME=s1193
SUBJECT_SAMPLE_FACTORS           	-	s1194	Experiment:mono-colonization_2 | Sample_type:serum | Colonization:Cp	RAW_FILE_NAME=s1194
SUBJECT_SAMPLE_FACTORS           	-	s1195	Experiment:mono-colonization_2 | Sample_type:serum | Colonization:Cp	RAW_FILE_NAME=s1195
SUBJECT_SAMPLE_FACTORS           	-	s1196	Experiment:mono-colonization_2 | Sample_type:serum | Colonization:Cp	RAW_FILE_NAME=s1196
SUBJECT_SAMPLE_FACTORS           	-	s1197	Experiment:mono-colonization_2 | Sample_type:serum | Colonization:Cp	RAW_FILE_NAME=s1197
#COLLECTION
CO:COLLECTION_SUMMARY            	For all experiments, mice were euthanized by CO2 asphyxiation nine days
CO:COLLECTION_SUMMARY            	(mono-colonization with Citrobacter portucalensis BEI HM-34 or Anaerostipes sp.
CO:COLLECTION_SUMMARY            	BEI HM-220) or four weeks (all other experiments) following colonization, and
CO:COLLECTION_SUMMARY            	four sample types (serum, urine, feces, and cecal contents) were harvested from
CO:COLLECTION_SUMMARY            	each mouse. Prior to euthanization, urine and feces were collected. Whole blood
CO:COLLECTION_SUMMARY            	was collected by cardiac puncture and serum was obtained using microcontainer
CO:COLLECTION_SUMMARY            	serum separator tubes from Becton Dickinson following manufacturer’s
CO:COLLECTION_SUMMARY            	instructions. The intact cecum was harvested and snap-frozen in liquid nitrogen.
CO:COLLECTION_SUMMARY            	A single cecal sample was harvested for mono-association and conventional
CO:COLLECTION_SUMMARY            	experiments, and three samples at three different sections of the cecum were
CO:COLLECTION_SUMMARY            	harvested for the defined-community experiment. All mouse experiments were
CO:COLLECTION_SUMMARY            	conducted under a protocol approved by the Stanford University Institutional
CO:COLLECTION_SUMMARY            	Animal Care and Use Committee.
CO:SAMPLE_TYPE                   	Feces;Urine;Serum;Cecal contents
#TREATMENT
TR:TREATMENT_SUMMARY             	Mouse experiments were performed on gnotobiotic Swiss Webster germ-free mice
TR:TREATMENT_SUMMARY             	(males, 10-14 weeks of age, n = 3-8 per group for all experiments) maintained in
TR:TREATMENT_SUMMARY             	aseptic isolators, and originally obtained from Taconic Bioscience. For
TR:TREATMENT_SUMMARY             	mono-association experiments, mice were colonized with Bacteroides
TR:TREATMENT_SUMMARY             	thetaiotaomicron VPI 5482, Clostridium sporogenes ATCC 15579, Citrobacter
TR:TREATMENT_SUMMARY             	portucalensis BEI HM-34, or Anaerostipes sp. BEI HM-220904a, by oral gavage (200
TR:TREATMENT_SUMMARY             	uL, ~1 x 107 CFU) and were maintained on a standard chow (LabDiet 5K67). For the
TR:TREATMENT_SUMMARY             	defined-community experiment, mice with a six-member community were colonized
TR:TREATMENT_SUMMARY             	with a 200 uL mixture consisting of equal volumes from saturated cultures of
TR:TREATMENT_SUMMARY             	Bacteroides thetaiotaomicron VPI 5482 (8.7 x 109 CFU), Clostridium sporogenes
TR:TREATMENT_SUMMARY             	ATCC 15579 (1.4 x 108 CFU), Edwardsiella tarda ATCC 23685 (3.6 x 1010 CFU),
TR:TREATMENT_SUMMARY             	Collinsella aerofaciens ATCC 25986 (1.4 x 109), Eubacterium rectale ATCC 33656
TR:TREATMENT_SUMMARY             	(6.9 x 106 CFU), and Parabacteroides distasonis ATCC 8503 (1.5 x 109 CFU). Mice
TR:TREATMENT_SUMMARY             	with a five-member community were colonized with all cultures mixed at the same
TR:TREATMENT_SUMMARY             	volumes as described above except for Clostridium sporogenes ATCC 15579, which
TR:TREATMENT_SUMMARY             	was not included. Successful colonization and stable community members were
TR:TREATMENT_SUMMARY             	determined by 16S amplicon sequencing of the V4 (515f, 806r) region of microbial
TR:TREATMENT_SUMMARY             	populations present in the feces and cecal contents from individual mice.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	All samples were stored at -80oC until use, and were thawed on ice immediately
SP:SAMPLEPREP_SUMMARY            	before extraction. 200 µL of serum and bacterial supernatant samples were used
SP:SAMPLEPREP_SUMMARY            	for extraction directly without dilution. Urine samples were diluted 1:20 in
SP:SAMPLEPREP_SUMMARY            	LC-MS grade water (Fisher) to reach a final volume of 200 µL prior to
SP:SAMPLEPREP_SUMMARY            	extraction. Protein precipitation for bacterial, serum, and urine samples was
SP:SAMPLEPREP_SUMMARY            	conducted by adding 1 mL of extraction buffer (see composition below) in 100%
SP:SAMPLEPREP_SUMMARY            	methanol (LC-MS grade, Fisher) to 200 µL of each sample in a 2 mL 96-well
SP:SAMPLEPREP_SUMMARY            	microplate (Fisher), sealed with a silicone mat (Agilent), and vortexed to mix.
SP:SAMPLEPREP_SUMMARY            	For feces and cecal contents, ~ 20 mg of feces or cecal contents were added to ~
SP:SAMPLEPREP_SUMMARY            	20 mg of acid-washed glass beads (150-212 µm, Sigma) in a 2 mL autoclaved screw
SP:SAMPLEPREP_SUMMARY            	top vial. In the same vial, 600 µL of water (LC-MS grade, Fisher) and 600 µL
SP:SAMPLEPREP_SUMMARY            	of recovery buffer in 100% methanol (see composition below) were added. Fecal
SP:SAMPLEPREP_SUMMARY            	and cecal slurries were homogenized at 4oC using a Mini Beadbeater operating at
SP:SAMPLEPREP_SUMMARY            	3,500 oscillations per minute for 5 minutes. For all sample types, samples were
SP:SAMPLEPREP_SUMMARY            	subsequently incubated at room temperature for 5 minutes, followed by
SP:SAMPLEPREP_SUMMARY            	centrifugation at 5,000 x g for 10 minutes. Two 440 µL aliquots of the same
SP:SAMPLEPREP_SUMMARY            	supernatant were transferred to two separate 2 mL plates and dried under air in
SP:SAMPLEPREP_SUMMARY            	a Biotage TurboVap. One of these dried plates was sealed and archived at -80oC.
SP:SAMPLEPREP_SUMMARY            	The dried extracts were reconstituted in 200 µL reconstitution buffer (see
SP:SAMPLEPREP_SUMMARY            	composition below) in 50% methanol in water (v/v, LC-MS grade, Fisher) by
SP:SAMPLEPREP_SUMMARY            	vortexing at max speed for 5 seconds. Reconstituted sample extracts were
SP:SAMPLEPREP_SUMMARY            	centrifuged at 2,000 x g for 1 minute, and filtered through a 96-well Durapore
SP:SAMPLEPREP_SUMMARY            	PVDF 0.22-µm filter plate (Millipore) into in a 1 mL 96-well plate (Agilent) by
SP:SAMPLEPREP_SUMMARY            	centrifugation at 2,000 x g for 10 minutes. Plates were then sealed with 96-well
SP:SAMPLEPREP_SUMMARY            	cap mats (Agilent) and stored at -80oC until LC-MS analysis. QC samples were
SP:SAMPLEPREP_SUMMARY            	generated by pooling 4 µL from each well of the experiment into a single
SP:SAMPLEPREP_SUMMARY            	designated well on the same plate for LC-MS analysis. The extraction buffer
SP:SAMPLEPREP_SUMMARY            	consisted of 4-Chloro-phenylalanine (6.8 µM, Carbosynth), Tridecanoic acid (6.8
SP:SAMPLEPREP_SUMMARY            	µM, Sigma), and 2-Flurophenylglycine (3.4 µM, SCBT) in 100% methanol. The
SP:SAMPLEPREP_SUMMARY            	reconstitution buffer included the internal standards:
SP:SAMPLEPREP_SUMMARY            	Phenylalanine-2,3,4,5,6-d5 (12.5 µM, CIL), Glucose-1,2,3,4,5,6,6-d7 (25 µM,
SP:SAMPLEPREP_SUMMARY            	CIL), Methionine-methyl-d3 (12.5 µM, CIL), 4-Hydroxyphenyl-d4-alanine (3.125
SP:SAMPLEPREP_SUMMARY            	µM, CDN), Tryptophan-2,4,5,6,7-d5 (12.5 µM, CDN), Leucine-5,5,5-d3 (12.5 µM,
SP:SAMPLEPREP_SUMMARY            	CDN), N-Benzoyl-d5-glycine (6.25 µM, CDN), 4-Bromo-phenylalanine (12.5 µM,
SP:SAMPLEPREP_SUMMARY            	Sigma), Progesterone-d9 (3.125 µM, CIL), Di-N-octyl phthalate-3,4,5,6-d4 (12.5
SP:SAMPLEPREP_SUMMARY            	µM, CDN), d19-Decanoic acid (12.5 µM, CDN), d15-Octanoic acid (25 µM, CDN),
SP:SAMPLEPREP_SUMMARY            	Indole-2,4,5,6,7-d5-3-acetic acid (12.5 µM, CDN), Carnitine-trimethyl-d9 (3.125
SP:SAMPLEPREP_SUMMARY            	µM, CDN), and d27-Tetradecanoic acid (12.5 µM, CDN), in 50% methanol in water.
SP:SAMPLEPREP_SUMMARY            	The final concentration for each internal standard in these buffers was
SP:SAMPLEPREP_SUMMARY            	determined by choosing a concentration falling within its linear dynamic range
SP:SAMPLEPREP_SUMMARY            	as measured by each analytical method.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Published C18 reverse phase methods were implemented with minor modifications.
CH:CHROMATOGRAPHY_SUMMARY        	The C18 negative method (ESI-) used mobile phase solvents (LC-MS grade)
CH:CHROMATOGRAPHY_SUMMARY        	consisting of 6.5 mM ammonium bicarbonate (Sigma) in water at pH 8 (A) and 6.5
CH:CHROMATOGRAPHY_SUMMARY        	mM ammonium bicarbonate in 95:5 v/v methanol:water (B). The gradient profile was
CH:CHROMATOGRAPHY_SUMMARY        	from 0.5% B to 70% B in 4 minutes, from 70% B to 98% B in 0.5 minutes, and
CH:CHROMATOGRAPHY_SUMMARY        	holding at 98% B for 0.9 minute before returning to 0.5% B in 0.2 minutes. The
CH:CHROMATOGRAPHY_SUMMARY        	flow rate was 350 µL per minute. The sample injection volume was 5 µL. LC
CH:CHROMATOGRAPHY_SUMMARY        	separations were made at 40oC on separate columns fitted with a Vanguard
CH:CHROMATOGRAPHY_SUMMARY        	pre-column of the same composition: Waters Acquity BEH 1.7 µm particle size,
CH:CHROMATOGRAPHY_SUMMARY        	2.1 mm id x 100 mm length. Data were collected at a mass range of 70-1000 m/z at
CH:CHROMATOGRAPHY_SUMMARY        	an acquisition rate of 2 spectra per second. Specific ion source parameters
CH:CHROMATOGRAPHY_SUMMARY        	included Fragmentor (140V), Gas Temp (250oC), Sheath Gas Temp (200oC), and VCap
CH:CHROMATOGRAPHY_SUMMARY        	(4000V).
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Agilent qTOF 6545
CH:COLUMN_NAME                   	Waters Acquity BEH (2.1 mm id x 100 mm, 1.7 µm)
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Agilent qTOF 6545
MS:INSTRUMENT_TYPE               	QTOF
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	NEGATIVE
MS:MS_COMMENTS                   	The MS-DIAL software (v. 3.83) was used for analyzing all in vitro and in vivo
MS:MS_COMMENTS                   	data on a per-experimental run and per-analytical method basis. QC samples from
MS:MS_COMMENTS                   	each experimental run were used for peak alignment. Chemical assignment of
MS:MS_COMMENTS                   	molecular features in samples was performed by comparison of recorded RT and m/z
MS:MS_COMMENTS                   	information to our reference library constructed from authentic standards.
MS:MS_COMMENTS                   	Tolerance windows were set to 0.1 minute RT and 0.01 Da m/z for the C18 methods
MS:MS_COMMENTS                   	and 0.2 minute RT and 0.01 Da m/z for the HILIC method. The minimal peak count
MS:MS_COMMENTS                   	(height) filter was set to 3000 for all experiments except for select
MS:MS_COMMENTS                   	experiments in which the MS exhibited reduced sensitivity. For experiments where
MS:MS_COMMENTS                   	detection of internal standards goes beyond the 0.1 (C18 methods) or 0.2 (HILIC
MS:MS_COMMENTS                   	method) window, RT correction of the mz-RT reference library was conducted prior
MS:MS_COMMENTS                   	to feature annotation in MS-DIAL. The MS-DIAL analysis generated a list of m/z,
MS:MS_COMMENTS                   	RT, and ion counts (area under the curve) for high-confidence annotations
MS:MS_COMMENTS                   	(matched to the reference library) as well as unknown molecular features. Based
MS:MS_COMMENTS                   	on the list of annotations for each experiment, each set of aligned peaks was
MS:MS_COMMENTS                   	manually checked using the MS-DIAL graphical user interface. Select metabolite
MS:MS_COMMENTS                   	features were removed from this list when: 1) two adjacent but distinct peaks
MS:MS_COMMENTS                   	were concurrently assigned to a single molecular feature, 2) odd curvature/shape
MS:MS_COMMENTS                   	of the peak led to integration of several “peaks” from separate sections of
MS:MS_COMMENTS                   	the same peak, or 3) features were only detected in blank controls. Annotated
MS:MS_COMMENTS                   	peaks that passed this inspection were reported in the final output file. After
MS:MS_COMMENTS                   	MS-DIAL analysis, data were analyzed with a set of custom bioinformatics
MS:MS_COMMENTS                   	pipelines. In short, these pipelines implemented a set of filtration and
MS:MS_COMMENTS                   	normalization procedures with the goal of reducing technical variability and
MS:MS_COMMENTS                   	controlling for batch effects.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	Raw ion count (peak area)
MS_METABOLITE_DATA_START
Samples	s0022	s0029	s0034	s0054	s0070	s0092	s0100	s0163	s0167	s0168	s0170	s0171	s0186	s0187	s0194	s0195	s0196	s0200	s0202	s0212	s0213	s0214	s0219	s0227	s0231	s0236	s0245	s0250	s0254	s0259	s0272	s0277	s0281	s0286	s0290	s0295	s0304	s0309	s0314	s0355	s0356	s0357	s0358	s0359	s0360	s0361	s0362	s0363	s0364	s0365	s0366	s0367	s0368	s0369	s0370	s0371	s0372	s0373	s0374	s1001	s1002	s1003	s1004	s1005	s1006	s1007	s1008	s1009	s1010	s1011	s1012	s1013	s1014	s1015	s1016	s1017	s1018	s1019	s1020	s1021	s1022	s1023	s1024	s1025	s1026	s1027	s1028	s1029	s1030	s1031	s1032	s1033	s1034	s1035	s1036	s1037	s1038	s1039	s1040	s1041	s1042	s1043	s1044	s1045	s1046	s1047	s1048	s1049	s1050	s1051	s1052	s1053	s1054	s1055	s1056	s1057	s1058	s1059	s1060	s1061	s1062	s1063	s1064	s1065	s1066	s1067	s1068	s1069	s1070	s1071	s1072	s1073	s1074	s1075	s1076	s1077	s1078	s1079	s1080	s1081	s1082	s1083	s1084	s1085	s1086	s1087	s1088	s1089	s1090	s1091	s1092	s1093	s1094	s1095	s1096	s1097	s1098	s1099	s1100	s1101	s1102	s1103	s1104	s1105	s1106	s1107	s1108	s1109	s1110	s1111	s1112	s1113	s1114	s1115	s1116	s1117	s1118	s1119	s1120	s1121	s1122	s1123	s1124	s1125	s1126	s1127	s1128	s1129	s1130	s1131	s1132	s1133	s1134	s1135	s1136	s1137	s1138	s1139	s1140	s1141	s1142	s1143	s1144	s1145	s1146	s1147	s1148	s1149	s1150	s1151	s1152	s1153	s1154	s1155	s1156	s1157	s1158	s1159	s1160	s1161	s1162	s1163	s1164	s1165	s1166	s1167	s1168	s1169	s1170	s1171	s1172	s1173	s1174	s1175	s1176	s1177	s1178	s1179	s1180	s1181	s1182	s1183	s1184	s1185	s1186	s1187	s1188	s1189	s1190	s1191	s1192	s1193	s1194	s1195	s1196	s1197
Factors	Experiment:community | Sample_type:feces | Colonization:germ-free	Experiment:community | Sample_type:feces | Colonization:germ-free	Experiment:community | Sample_type:feces | Colonization:germ-free	Experiment:community | Sample_type:feces | Colonization:Bt_Ca_Er_Pd_Et	Experiment:community | Sample_type:feces | Colonization:Bt_Ca_Er_Pd_Et	Experiment:community | Sample_type:feces | Colonization:Cs_Bt_Ca_Er_Pd_Et	Experiment:community | Sample_type:feces | Colonization:Cs_Bt_Ca_Er_Pd_Et	Experiment:community | Sample_type:caecal | Colonization:germ-free	Experiment:community | Sample_type:caecal | Colonization:germ-free	Experiment:community | Sample_type:caecal | Colonization:germ-free	Experiment:community | Sample_type:caecal | Colonization:germ-free	Experiment:community | Sample_type:caecal | Colonization:germ-free	Experiment:community | Sample_type:caecal | Colonization:Bt_Ca_Er_Pd_Et	Experiment:community | Sample_type:caecal | Colonization:Bt_Ca_Er_Pd_Et	Experiment:community | Sample_type:caecal | Colonization:Bt_Ca_Er_Pd_Et	Experiment:community | Sample_type:caecal | Colonization:Bt_Ca_Er_Pd_Et	Experiment:community | Sample_type:caecal | Colonization:Bt_Ca_Er_Pd_Et	Experiment:community | Sample_type:caecal | Colonization:Cs_Bt_Ca_Er_Pd_Et	Experiment:community | Sample_type:caecal | Colonization:Cs_Bt_Ca_Er_Pd_Et	Experiment:community | Sample_type:caecal | Colonization:Cs_Bt_Ca_Er_Pd_Et	Experiment:community | Sample_type:caecal | Colonization:Cs_Bt_Ca_Er_Pd_Et	Experiment:community | Sample_type:caecal | Colonization:Cs_Bt_Ca_Er_Pd_Et	Experiment:community | Sample_type:caecal | Colonization:Cs_Bt_Ca_Er_Pd_Et	Experiment:community | Sample_type:urine | Colonization:germ-free	Experiment:community | Sample_type:urine | Colonization:germ-free	Experiment:community | Sample_type:urine | Colonization:germ-free	Experiment:community | Sample_type:urine | Colonization:Cs_Bt_Ca_Er_Pd_Et	Experiment:community | Sample_type:urine | Colonization:Cs_Bt_Ca_Er_Pd_Et	Experiment:community | Sample_type:urine | Colonization:Cs_Bt_Ca_Er_Pd_Et	Experiment:community | Sample_type:urine | Colonization:Cs_Bt_Ca_Er_Pd_Et	Experiment:community | Sample_type:urine | Colonization:Cs_Bt_Ca_Er_Pd_Et	Experiment:community | Sample_type:urine | Colonization:Cs_Bt_Ca_Er_Pd_Et	Experiment:community | Sample_type:urine | Colonization:Bt_Ca_Er_Pd_Et	Experiment:community | Sample_type:urine | Colonization:Bt_Ca_Er_Pd_Et	Experiment:community | Sample_type:urine | Colonization:Bt_Ca_Er_Pd_Et	Experiment:community | Sample_type:urine | Colonization:Bt_Ca_Er_Pd_Et	Experiment:community | Sample_type:urine | Colonization:Bt_Ca_Er_Pd_Et	Experiment:community | Sample_type:urine | Colonization:Bt_Ca_Er_Pd_Et	Experiment:community | Sample_type:urine | Colonization:Bt_Ca_Er_Pd_Et	Experiment:community | Sample_type:serum | Colonization:Bt_Ca_Er_Pd_Et	Experiment:community | Sample_type:serum | Colonization:Cs_Bt_Ca_Er_Pd_Et	Experiment:community | Sample_type:serum | Colonization:Cs_Bt_Ca_Er_Pd_Et	Experiment:community | Sample_type:serum | Colonization:germ-free	Experiment:community | Sample_type:serum | Colonization:Bt_Ca_Er_Pd_Et	Experiment:community | Sample_type:serum | Colonization:Cs_Bt_Ca_Er_Pd_Et	Experiment:community | Sample_type:serum | Colonization:Cs_Bt_Ca_Er_Pd_Et	Experiment:community | Sample_type:serum | Colonization:Bt_Ca_Er_Pd_Et	Experiment:community | Sample_type:serum | Colonization:Bt_Ca_Er_Pd_Et	Experiment:community | Sample_type:serum | Colonization:germ-free	Experiment:community | Sample_type:serum | Colonization:germ-free	Experiment:community | Sample_type:serum | Colonization:Bt_Ca_Er_Pd_Et	Experiment:community | Sample_type:serum | Colonization:Bt_Ca_Er_Pd_Et	Experiment:community | Sample_type:serum | Colonization:Bt_Ca_Er_Pd_Et	Experiment:community | Sample_type:serum | Colonization:Cs_Bt_Ca_Er_Pd_Et	Experiment:community | Sample_type:serum | Colonization:germ-free	Experiment:community | Sample_type:serum | Colonization:germ-free	Experiment:community | Sample_type:serum | Colonization:Cs_Bt_Ca_Er_Pd_Et	Experiment:community | Sample_type:serum | Colonization:Cs_Bt_Ca_Er_Pd_Et	Experiment:community | Sample_type:serum | Colonization:Bt_Ca_Er_Pd_Et	Experiment:mono-colonization | Sample_type:feces | Colonization:germ-free	Experiment:mono-colonization | Sample_type:feces | Colonization:germ-free	Experiment:mono-colonization | Sample_type:feces | Colonization:germ-free	Experiment:mono-colonization | Sample_type:feces | Colonization:germ-free	Experiment:mono-colonization | Sample_type:feces | Colonization:Bt	Experiment:mono-colonization | Sample_type:feces | Colonization:Bt	Experiment:mono-colonization | Sample_type:feces | Colonization:Bt	Experiment:mono-colonization | Sample_type:feces | Colonization:Bt	Experiment:mono-colonization | Sample_type:feces | Colonization:Bt	Experiment:mono-colonization | Sample_type:feces | Colonization:Cs	Experiment:mono-colonization | Sample_type:feces | Colonization:Cs	Experiment:mono-colonization | Sample_type:feces | Colonization:Cs	Experiment:mono-colonization | Sample_type:feces | Colonization:Cs	Experiment:mono-colonization | Sample_type:caecal | Colonization:germ-free	Experiment:mono-colonization | Sample_type:caecal | Colonization:germ-free	Experiment:mono-colonization | Sample_type:caecal | Colonization:germ-free	Experiment:mono-colonization | Sample_type:caecal | Colonization:germ-free	Experiment:mono-colonization | Sample_type:caecal | Colonization:Bt	Experiment:mono-colonization | Sample_type:caecal | Colonization:Bt	Experiment:mono-colonization | Sample_type:caecal | Colonization:Bt	Experiment:mono-colonization | Sample_type:caecal | Colonization:Bt	Experiment:mono-colonization | Sample_type:caecal | Colonization:Bt	Experiment:mono-colonization | Sample_type:caecal | Colonization:Cs	Experiment:mono-colonization | Sample_type:caecal | Colonization:Cs	Experiment:mono-colonization | Sample_type:caecal | Colonization:Cs	Experiment:mono-colonization | Sample_type:caecal | Colonization:Cs	Experiment:mono-colonization | Sample_type:serum | Colonization:germ-free	Experiment:mono-colonization | Sample_type:serum | Colonization:germ-free	Experiment:mono-colonization | Sample_type:serum | Colonization:germ-free	Experiment:mono-colonization | Sample_type:serum | Colonization:germ-free	Experiment:mono-colonization | Sample_type:serum | Colonization:Bt	Experiment:mono-colonization | Sample_type:serum | Colonization:Bt	Experiment:mono-colonization | Sample_type:serum | Colonization:Bt	Experiment:mono-colonization | Sample_type:serum | Colonization:Bt	Experiment:mono-colonization | Sample_type:serum | Colonization:Bt	Experiment:mono-colonization | Sample_type:serum | Colonization:Cs	Experiment:mono-colonization | Sample_type:serum | Colonization:Cs	Experiment:mono-colonization | Sample_type:serum | Colonization:Cs	Experiment:mono-colonization | Sample_type:serum | Colonization:Cs	Experiment:mono-colonization | Sample_type:urine | Colonization:germ-free	Experiment:mono-colonization | Sample_type:urine | Colonization:germ-free	Experiment:mono-colonization | Sample_type:urine | Colonization:germ-free	Experiment:mono-colonization | Sample_type:urine | Colonization:Bt	Experiment:mono-colonization | Sample_type:urine | Colonization:Bt	Experiment:mono-colonization | Sample_type:urine | Colonization:Bt	Experiment:mono-colonization | Sample_type:urine | Colonization:Bt	Experiment:mono-colonization | Sample_type:urine | Colonization:Cs	Experiment:mono-colonization | Sample_type:urine | Colonization:Cs	Experiment:mono-colonization | Sample_type:urine | Colonization:Cs	Experiment:conventional | Sample_type:urine | Colonization:germ-free	Experiment:conventional | Sample_type:urine | Colonization:germ-free	Experiment:conventional | Sample_type:urine | Colonization:germ-free	Experiment:conventional | Sample_type:urine | Colonization:germ-free	Experiment:conventional | Sample_type:urine | Colonization:conventional	Experiment:conventional | Sample_type:urine | Colonization:conventional	Experiment:conventional | Sample_type:urine | Colonization:conventional	Experiment:conventional | Sample_type:serum | Colonization:germ-free	Experiment:conventional | Sample_type:serum | Colonization:germ-free	Experiment:conventional | Sample_type:serum | Colonization:germ-free	Experiment:conventional | Sample_type:serum | Colonization:germ-free	Experiment:conventional | Sample_type:serum | Colonization:conventional	Experiment:conventional | Sample_type:serum | Colonization:conventional	Experiment:conventional | Sample_type:serum | Colonization:conventional	Experiment:conventional | Sample_type:caecal | Colonization:germ-free	Experiment:conventional | Sample_type:caecal | Colonization:germ-free	Experiment:conventional | Sample_type:caecal | Colonization:germ-free	Experiment:conventional | Sample_type:caecal | Colonization:germ-free	Experiment:conventional | Sample_type:feces | Colonization:germ-free	Experiment:conventional | Sample_type:feces | Colonization:germ-free	Experiment:conventional | Sample_type:feces | Colonization:germ-free	Experiment:conventional | Sample_type:feces | Colonization:germ-free	Experiment:conventional | Sample_type:caecal | Colonization:conventional	Experiment:conventional | Sample_type:caecal | Colonization:conventional	Experiment:conventional | Sample_type:caecal | Colonization:conventional	Experiment:conventional | Sample_type:feces | Colonization:conventional	Experiment:conventional | Sample_type:feces | Colonization:conventional	Experiment:conventional | Sample_type:feces | Colonization:conventional	Experiment:mono-colonization_2 | Sample_type:feces | Colonization:germ-free	Experiment:mono-colonization_2 | Sample_type:feces | Colonization:germ-free	Experiment:mono-colonization_2 | Sample_type:feces | Colonization:germ-free	Experiment:mono-colonization_2 | Sample_type:feces | Colonization:germ-free	Experiment:mono-colonization_2 | Sample_type:feces | Colonization:As	Experiment:mono-colonization_2 | Sample_type:feces | Colonization:As	Experiment:mono-colonization_2 | Sample_type:feces | Colonization:As	Experiment:mono-colonization_2 | Sample_type:feces | Colonization:As	Experiment:mono-colonization_2 | Sample_type:feces | Colonization:As	Experiment:mono-colonization_2 | Sample_type:feces | Colonization:As	Experiment:mono-colonization_2 | Sample_type:feces | Colonization:As	Experiment:mono-colonization_2 | Sample_type:feces | Colonization:Cp	Experiment:mono-colonization_2 | Sample_type:feces | Colonization:Cp	Experiment:mono-colonization_2 | Sample_type:feces | Colonization:Cp	Experiment:mono-colonization_2 | Sample_type:feces | Colonization:Cp	Experiment:mono-colonization_2 | Sample_type:feces | Colonization:Cp	Experiment:mono-colonization_2 | Sample_type:caecal | Colonization:germ-free	Experiment:mono-colonization_2 | Sample_type:caecal | Colonization:germ-free	Experiment:mono-colonization_2 | Sample_type:caecal | Colonization:germ-free	Experiment:mono-colonization_2 | Sample_type:caecal | Colonization:germ-free	Experiment:mono-colonization_2 | Sample_type:caecal | Colonization:As	Experiment:mono-colonization_2 | Sample_type:caecal | Colonization:As	Experiment:mono-colonization_2 | Sample_type:caecal | Colonization:As	Experiment:mono-colonization_2 | Sample_type:caecal | Colonization:As	Experiment:mono-colonization_2 | Sample_type:caecal | Colonization:As	Experiment:mono-colonization_2 | Sample_type:caecal | Colonization:As	Experiment:mono-colonization_2 | Sample_type:caecal | Colonization:As	Experiment:mono-colonization_2 | Sample_type:caecal | Colonization:Cp	Experiment:mono-colonization_2 | Sample_type:caecal | Colonization:Cp	Experiment:mono-colonization_2 | Sample_type:caecal | Colonization:Cp	Experiment:mono-colonization_2 | Sample_type:caecal | Colonization:Cp	Experiment:mono-colonization_2 | Sample_type:caecal | Colonization:Cp	Experiment:mono-colonization_2 | Sample_type:urine | Colonization:germ-free	Experiment:mono-colonization_2 | Sample_type:urine | Colonization:germ-free	Experiment:mono-colonization_2 | Sample_type:urine | Colonization:germ-free	Experiment:mono-colonization_2 | Sample_type:urine | Colonization:germ-free	Experiment:mono-colonization_2 | Sample_type:urine | Colonization:As	Experiment:mono-colonization_2 | Sample_type:urine | Colonization:As	Experiment:mono-colonization_2 | Sample_type:urine | Colonization:As	Experiment:mono-colonization_2 | Sample_type:urine | Colonization:As	Experiment:mono-colonization_2 | Sample_type:urine | Colonization:As	Experiment:mono-colonization_2 | Sample_type:urine | Colonization:As	Experiment:mono-colonization_2 | Sample_type:urine | Colonization:As	Experiment:mono-colonization_2 | Sample_type:urine | Colonization:Cp	Experiment:mono-colonization_2 | Sample_type:urine | Colonization:Cp	Experiment:mono-colonization_2 | Sample_type:urine | Colonization:Cp	Experiment:mono-colonization_2 | Sample_type:urine | Colonization:Cp	Experiment:mono-colonization_2 | Sample_type:urine | Colonization:Cp	Experiment:mono-colonization_2 | Sample_type:serum | Colonization:germ-free	Experiment:mono-colonization_2 | Sample_type:serum | Colonization:germ-free	Experiment:mono-colonization_2 | Sample_type:serum | Colonization:germ-free	Experiment:mono-colonization_2 | Sample_type:serum | Colonization:germ-free	Experiment:mono-colonization_2 | Sample_type:serum | Colonization:As	Experiment:mono-colonization_2 | Sample_type:serum | Colonization:As	Experiment:mono-colonization_2 | Sample_type:serum | Colonization:As	Experiment:mono-colonization_2 | Sample_type:serum | Colonization:As	Experiment:mono-colonization_2 | Sample_type:serum | Colonization:As	Experiment:mono-colonization_2 | Sample_type:serum | Colonization:As	Experiment:mono-colonization_2 | Sample_type:serum | Colonization:As	Experiment:mono-colonization_2 | Sample_type:serum | Colonization:Cp	Experiment:mono-colonization_2 | Sample_type:serum | Colonization:Cp	Experiment:mono-colonization_2 | Sample_type:serum | Colonization:Cp	Experiment:mono-colonization_2 | Sample_type:serum | Colonization:Cp	Experiment:mono-colonization_2 | Sample_type:serum | Colonization:Cp	Experiment:mono-colonization_2 | Sample_type:feces | Colonization:germ-free	Experiment:mono-colonization_2 | Sample_type:feces | Colonization:germ-free	Experiment:mono-colonization_2 | Sample_type:feces | Colonization:germ-free	Experiment:mono-colonization_2 | Sample_type:feces | Colonization:germ-free	Experiment:mono-colonization_2 | Sample_type:feces | Colonization:As	Experiment:mono-colonization_2 | Sample_type:feces | Colonization:As	Experiment:mono-colonization_2 | Sample_type:feces | Colonization:As	Experiment:mono-colonization_2 | Sample_type:feces | Colonization:As	Experiment:mono-colonization_2 | Sample_type:feces | Colonization:As	Experiment:mono-colonization_2 | Sample_type:feces | Colonization:Cp	Experiment:mono-colonization_2 | Sample_type:feces | Colonization:Cp	Experiment:mono-colonization_2 | Sample_type:feces | Colonization:Cp	Experiment:mono-colonization_2 | Sample_type:feces | Colonization:Cp	Experiment:mono-colonization_2 | Sample_type:feces | Colonization:Cp	Experiment:mono-colonization_2 | Sample_type:caecal | Colonization:germ-free	Experiment:mono-colonization_2 | Sample_type:caecal | Colonization:germ-free	Experiment:mono-colonization_2 | Sample_type:caecal | Colonization:germ-free	Experiment:mono-colonization_2 | Sample_type:caecal | Colonization:germ-free	Experiment:mono-colonization_2 | Sample_type:caecal | Colonization:As	Experiment:mono-colonization_2 | Sample_type:caecal | Colonization:As	Experiment:mono-colonization_2 | Sample_type:caecal | Colonization:As	Experiment:mono-colonization_2 | Sample_type:caecal | Colonization:As	Experiment:mono-colonization_2 | Sample_type:caecal | Colonization:As	Experiment:mono-colonization_2 | Sample_type:caecal | Colonization:Cp	Experiment:mono-colonization_2 | Sample_type:caecal | Colonization:Cp	Experiment:mono-colonization_2 | Sample_type:caecal | Colonization:Cp	Experiment:mono-colonization_2 | Sample_type:caecal | Colonization:Cp	Experiment:mono-colonization_2 | Sample_type:caecal | Colonization:Cp	Experiment:mono-colonization_2 | Sample_type:urine | Colonization:germ-free	Experiment:mono-colonization_2 | Sample_type:urine | Colonization:germ-free	Experiment:mono-colonization_2 | Sample_type:urine | Colonization:germ-free	Experiment:mono-colonization_2 | Sample_type:urine | Colonization:germ-free	Experiment:mono-colonization_2 | Sample_type:urine | Colonization:As	Experiment:mono-colonization_2 | Sample_type:urine | Colonization:As	Experiment:mono-colonization_2 | Sample_type:urine | Colonization:As	Experiment:mono-colonization_2 | Sample_type:urine | Colonization:As	Experiment:mono-colonization_2 | Sample_type:urine | Colonization:As	Experiment:mono-colonization_2 | Sample_type:urine | Colonization:Cp	Experiment:mono-colonization_2 | Sample_type:urine | Colonization:Cp	Experiment:mono-colonization_2 | Sample_type:urine | Colonization:Cp	Experiment:mono-colonization_2 | Sample_type:urine | Colonization:Cp	Experiment:mono-colonization_2 | Sample_type:urine | Colonization:Cp	Experiment:mono-colonization_2 | Sample_type:serum | Colonization:germ-free	Experiment:mono-colonization_2 | Sample_type:serum | Colonization:germ-free	Experiment:mono-colonization_2 | Sample_type:serum | Colonization:germ-free	Experiment:mono-colonization_2 | Sample_type:serum | Colonization:germ-free	Experiment:mono-colonization_2 | Sample_type:serum | Colonization:As	Experiment:mono-colonization_2 | Sample_type:serum | Colonization:As	Experiment:mono-colonization_2 | Sample_type:serum | Colonization:As	Experiment:mono-colonization_2 | Sample_type:serum | Colonization:As	Experiment:mono-colonization_2 | Sample_type:serum | Colonization:As	Experiment:mono-colonization_2 | Sample_type:serum | Colonization:Cp	Experiment:mono-colonization_2 | Sample_type:serum | Colonization:Cp	Experiment:mono-colonization_2 | Sample_type:serum | Colonization:Cp	Experiment:mono-colonization_2 | Sample_type:serum | Colonization:Cp	Experiment:mono-colonization_2 | Sample_type:serum | Colonization:Cp
(2-AMINOETHYL)PHOSPHONATE																																																																																																																																																																																									297019	437808	380441	366015	296875	348145	247271	262775	255448	162937	273352	338989	259303	208446	270261	224659
1-AMINOCYCLOPROPANE-1-CARBOXYLIC ACID																																																																																																																																																																									36046	39921	72472	36496	81251	96354	110888	63241	57939	84991	137164	75884	65743	105728	69098	106044																																													15206	15657	31288	23270	11899	11642	13270	20624	26202	23043	39855	18367	14596	63919
1,5-ANHYDRO-GLUCITOL																																																																																																			29057	24364	19193	18568	20577	19307	20157	4996	46	3233																																																													108172	169502	210711	201647	349324	320202	321969	229971	339211	254511	338322	313106	396743	462184	383995	433554																																													48953	45612	76375	82562	91916	88227	67839	75355	99026	66402	76559	67381	69161	75739	44553	43909	59099	57766	57731	50902	47938	88220	43235	66278	46038	32519	67237	38901
1,6-ANHYDRO-B-GLUCOSE	16029	18616	8912	30068	17762	28094	41110	19910	23620	20508	20554	20836	25743	38682	28822	28969	25895	33879	28983	26600	28344	23132	21224																																					56254	68149	66867	72521	95425	104855	90671	101210	94281	49264	60339	81476	63752	71035	62049	52553	74273	70528	84113	94815	85173	68681	61345	58013	54723	61624																															83309	84246	83148	72796	78753	70208	83190	67786	71391	57647	65983	66095	90806	81202	94774	47849	59260	82934	67287	91374	151496	291524	224562	187434	286457	91152	172409	114837	185691	164194	204325	108944	621148	482793	352174	477104	329181	259439	199652	217808	256323	86078	91189	68280	149299	82750	136652	109290	299953	205228	251079	241060	273438	140074	178063	298876	220987	319501	315799	364826	314066	260802	326771	562019	269308	294739	346644	193123	337422																	122060	113857	108617	93098	30531	44061	32094	40202	35248	224096	169763	156706	194342	119919	136319	73198	136674	130690	27610	40028	41044	52807	38804	111085	128904	133349	150641	156035	72940	84146	213401	190920	214986	213600	176995	146868	230702	196403	238059	199382	205406	270092
2-AMINO-2-METHYLPROPANOIC ACID, 2-AMINOBUTYRIC ACID, 3-AMINOISOBUTANOIC ACID, ALPHA-AMINOBUTYRIC ACID, N,N-DIMETHYLGLYCINE																																																																																																																											3340	2262	2658	2858	3302	2867	2876	3307	36930	22464	17105	32979	41869	14725																																	39664	61944	79432	76636	78175	84103	79526	78174	81879	68205	77159	178587	139798	140067	76673	157147
2-DEOXY-GLUCOSE																																																																																																			1030	1220	974	1297	1445	1171	1468	4052	5987	3233															7875	9159	8752	10320	12234	13159	10228	12815	8519	8603	11179	24383	10902	12281	51836	50923	19620	36161	65059	17792	17436	8688	36913	35139	15521	104241	87302	51859	82509	36483	14868	14074	11834	15818	10274	13445	12231	12500	17129	23985	11999	23209	28902	31891	33630	22059																	224259	219919	234717	284701	229968	193264	304515	155461	158039	241981	212202	84497	202572	150549	180396	142111
2-HYDROXY-3-METHYLPENTANOIC ACID, 2-HYDROXY-4-METHYLPENTANOIC ACID	0	0	0	2651	3059	17442	35336	0	0	0	0	0	2079	5821	2614	3231	2360	13681	13732	12489	11631	9826	44738	2963	5184	8292	21454	24904	12790	11913	8581	18510	1033	16825	7106	6997	17343	11575	17771																					986	364	523	811	2829	7128	9625	5376	3129	74378	71059	54399	111321	2301	1158	1547	1416	14539	12650	15072	14716	16269	85725	84803	113282	77459	8320	11790	9399	10054	9202	8816	12768	11860	7351	5380	3826	5229	5261	12684	10336	10681	17021	10145	11896	13863	3850	3932	2140	32389	32617	28085	27998	8495	9976	3990	19269	15985	18493	11778	17471	14665	12568															960	282	1543	2922	4531	3242	4189	7484	7010	4887	5502	130236	122630	158714	82225	78210	4563	3058	3121	3236	7222	10904	8325	7599	9790	8995	4952	563262	431402	371014	384921	428904																																	163	286	192	0	349	0	0	299	0	21784	94345	66921	71750	77279	0	0	385	359	1767	3475	1343	755	1588	158553	189987	199836	188931	226817	22849	17555	41466	53743	88401	70978	31052	25909	53686	26171	42623	38224	38219	44842	33283	41671	40837	29404	24402	38574	27451	32922	26478	35082	46751	40110	33167	40091
2-HYDROXYBUTYRIC ACID, 3-HYDROXYBUTYRIC ACID, 3-HYDROXYISOBUTYRIC ACID																																								19197	13018	20406	16215	14743	16946	14113	11485	13292	16494	23325	21098	13174	15009	15666	22172	18647	23313	13861	14308	1957	2888	2432	1710	6142	6118	8269	6430	3716	6389	6585	5546	8217	4528	3707	4677	4202	17038	16503	16934	17782	14555	8800	11509	13004	11241	16758	14097	15995	21132	16644	23091	19699	20445	18590	16640	12728	14849	16155																		85796	78969	60134	61008	89096	90164	79295	1729	1067	908	1261	546	902	702	325	7062	8456	10160	16412	10884	10143	7876	13539	13239	9909	8222	11488	8493	13905	12533	14752	15152	44419	33069	21845	31210	33562	15948	7627	3990	12060	13181	19448	12974	18312	17911	9759	10010	60183	48587	38938	76270	56165	10180	30468	35443	46889	30035	51452	67172	43603	36831	29215	52145	40648	31218	59570	68994	63753																															4635	5204	5578	3778	2136	3973	5735	5196	7307	31018	33529	16275	37799	39262															100925	37186	132124	124922	126615	117167	91005	132003	124560	138446	149880	120311	127505	127156
2-HYDROXYHEXANEDIOIC ACID, 3-HYDROXY-3-METHYLGLUTARIC ACID																								12714	12682	14433	22793	23329	17555	24564	20053	22330	28301	23001	26673	21513	27074	26290	29703																																																																						40273	39150	41287	27292	83847	73638	66869								2669	2919	3001	3166	2269	2346	2707	2286	20606	26903	36398	22295	20235	23525																																	206070	278770	267382	274354	98428	294655	108594	361775	77256	97513	111340	90482	127153	151431	336368	118787	345823	306789	210342	176735	128829	181675	91199	182382	159904	169987	175590	216263	131616	181111	161810	149795																													108805	148519	203068	143487	114788	108703	169031	99703	176611	129313	219020	170427	182795	219648	36892	41399	39239	45322	50151	50683	47475	51104	52278	41120	47011	38906	42613	44488
2-HYDROXYPHENYLACETIC ACID																																																																																																													17254	14691	19356	14484	22636	21229	18665																																																						33283	46710	83104	119653	87676	140454	186413	138892	89836	131386	115771	136339	127414	105025	101718	98692
2-ISOPROPYLMALIC ACID																								10826	10465	13431	14752	12844	17287	15813	13414	20567	10656	23875	15823	28320	27296	17867	27228																																																												19386	13705	10058	14940	14921	13455	15563	8197	10369	4840	42382	42755	35083	26232	111366	54698	66366																						25279	17455	22176	22796	15097	22237	8616	18806	7168	15111	15299	65276	48092	40360	46643	31735																																																	14577	11810	13243	13081	7439	5868	7775	6505	7481	21571	17424	18820	18711	13583	16305	13086	15483	11490	9304	8903	9657	12431	14961	16524	24248	16354	19316	21924
2-METHYLBUTYRYLGLYCINE																																																																																																													140420	135528	293102	150856	228023	253979	317751
2-METHYLMALEIC ACID, ITACONIC ACID	1438	7395	606	9335	11044	1099	1787	8700	2436	9419	9647	1746	9440	10633	1347	15542	831	1482	8828	8053	1271	681	1500	93026	95146	112831	191901	221133	145504	205476	145126	173844	214690	171635	167528	122910	219412	196489	246561																																																												100242	154077	145707	292502	176403	89477	163784	153448	176404	115180	333162	326735	506877	437380	1074282	946100	1009660	85689	68093	85660	92087	103127	100531	95297	40202	33157	34477	40637	35684	35402	32106	33446	49907	48752	41648	26873	88921	65636	151529	128489	136334	117025	97561	102255	92240	180973	164574	197874	170344	221212	94077	204353	210643	106099	136273	144060	169521	141078	156202	176666	174849	179868	210765	215536	163836	224480	134227	210117	168562	200575																																	56750	52661	69302	62528	83570	78960	75026	80915	84528	109665	96640	108507	124148	85803															777953	837831	1120489	1185042	948901	755038	1225429	1036821	1120088	1443305	1625109	1381418	1266690	1935385	144611	153820	132001	127676	106444	139941	161083	129590	134327	170924	168776	196329	163044	172678
2-OXOADIPATE																																																												10082	7362	9538	9135	15648	15668	11913	16605	14453	9908	10963	8758	9215	9784	10259	10817	8154	13274	16339	15638	19878	20742	11126	10475	10139	11469														1260	1635	903	14206	5028	2302	5571	2049	2012	919	3625	4579	5290	3709	18387	19113	13648																						23728	29621	22868	28937	31765	33158	19476	33537	34483	34605	31169	37011	31072	44455	39119	34740	18348	28810	14888	25446	33281	32618	29105	34676	40596	33829	27510	42710	40401	44580	22172	38845	32021	92031	46582	121330	44407	48864	57381	202063	46339	165030	210695	34934	51569	33380	52768	31905	32421	25098	31277	32598	71869	28252	80758	97604	102132	99413	74865	44739	64247	45054	100863	77444	13076	12306	14279	14922	14856	15812	14915	17530	17127	24871	25243	21971	21977	19235	16480	14024	13017	14515	15705	17871	15750	12822	13851	20752	20214	22987	18462	22740	32756	71250	42402	37142	19092	15896	100844	16660	37806	37101	130601	48805	53911	84035	8615	20281	8135	7040	3649	3689	11457	4209	5214	5290	17091	7360	5924	6826
2-PHOSPHOGLYCERIC ACID																																																																																																																																																																									33330	35243	47411	41523	55887	43858	47258	34054	60967	30248	49447	85509	63998	78575	64608	67012	30508	36958	31940	39777	21322	29441	16031	20781	35331	36507	31000	29952	33288	36137	33983	28929
2,4-DIHYDROXYBUTANOIC ACID																								14625	13375	19544	18801	19404	14803	24233	12286	21710	6639	21526	26963	34292	27236	15308	33177																					29013	25018	20849	24277	35844	16758	27050	15443	31926	22707	26308	37507	31836	31956	27224	22347	26153	35820	35608	23194	36412	35465	20411	23883	22806	25446														17729	14222	10159	16068	12732	16962	17770	9502	11837	5934	55724	58330	45258	58496	71035	76848	49504	118107	119699	115608	100928	121645	106331	123074	17806	16939	16447	17177	15949	16020	16206	16390	61232	64849	74525	27378	58509	72221																																																																																													116879	47141	89579	103433	84656	104603	69113	61962	100013	75657	85613	88375	86096	100085
2,4-DIHYDROXYPYRIMIDINE-5-CARBOXYLIC ACID																																																																																																																																									48464	53194	47561	35863	43486	43375	51035	49750	38257	48993	43797	75215	54251	54573	54017	54897	45681	44198	45283	45606	43587	42768	44340	52105	62256	54579	44092	62300	54521	58978	56369	48187																	51577	49731	55940	57112	53113	41957	63120	65166	65235	71633	67884	70014	68199	49860	73081	72739															22397	18883	24851	19057	16129	17435	17069	15266	16711	17406	18346	21034	31155	18759
2,6-DIHYDROXYBENZOIC ACID	0	0	0	616	315	575	382	109	0	0	0	0	150	865	0	265	114	684	898	396	385	380	1774	349852	289899	524293	459703	448126	344412	407204	329504	646205	107596	454889	542482	508936	525895	330549	497090	102484	86383	30607	70368	67297	81080	23036	66542	79706	87147	80168	96615	84453	69792	83173	71314	138960	32721	119324	32447	838	336	2276	661	4016	4001	2265	3444	5912	1738	1685	25539	4923	2846	1671	571	573	2157	3566	3271	2740	3396	1947	2932	2762	5180	89816	76957	55437	142796	62227	143297	80394	148079	59300	113837	92179	50411	54777	282964	271689	180652	408222	290475	325370	305669	262206	390016	201488	1064674	1061096	967814	654311	881134	1343612	727441	280358	212657	200450	129828	131274	243300	160683	1571	794	606	1262	844	682	552	565	11009	16347	16058	9108	7093	9738																																																																																													336463	386054	861244	706602	1024594	1240694	873030	833352	1248918	684535	800340	882456	727352	1047465	280111	548371	351943	160039	73527	216930	423539	418511	239934	277749	472167	254986	474347	423815
2'-DEOXYGUANOSINE 5'-MONOPHOSPHATE, ADENOSINE 5'-MONOPHOSPHATE																																																																																																																				0	105	0	0	1900	610	10411
2'-DEOXYURIDINE 5'-MONOPHOSPHATE																																																																																																																																																																																									47147	47876	43240	53965	51637	49893	53828	61159	54447	9350	73645	68943	70920	76297	73487	54521
3-(2-HYDROXYPHENYL)PROPANOIC ACID																																																																																																																																																																																																																																					8608	11473	22160	22960	29033	25362	19375	21340	26088	17355	20473	17337	12983	20101
3-(3-HYDROXYPHENYL)PROPIONIC ACID																																																																																																																											0	0	108	120	293	110	465	197	25249	22112	38871	28059	22022	24649
3-(4-HYDROXYPHENYL)PYRUVIC ACID																								46792	42010	87523	46558	48509	31722	32946	41307	57974	57238	125669	95558	101624	92652	90806	78961	7607	8602	5982	9754	8212	8187	7846	7151	9402	7144	7397	8372	3884	7063	8943	4511	15088	7640	9983	5910																																								87636	43884	70370	33563	35515	42890	55086	44969	36270	23130	302159	292808	213415	260212	317013	778610	275635	6934	7430	6456	8740	17765	3760	12729	2085	750	733	980	1322	268	685	1110	8720	5492	10095	1116	27070	30734																																	195023	514268	438949	449321	785364	815313	1168712	842867	819661	1002176	1188847	492998	487257	610082	462361	538256	99111	78597	121297	102328	102317	111450	126748	139219	59113	176188	182604	78125	127458	125804	205173	95788																													341345	303531	365646	347771	622686	795677	466179	245651	405782	194734	332345	366237	335855	259995	76757	85450	100340	56943	62312	68912	59857	57535	71977	85095	86614	91084	62050	82806
3-AMINO-4-HYDROXYBENZOIC ACID, 3-AMINO-5-HYDROXYBENZOIC ACID																																																																																																													4525	4502	7009	12312	26758	32437	9538
3-DEHYDROSHIKIMIC ACID																																																																																																																				28892	25417	24452	20476	17496	16881	20594																															5198	134140	85526	7034	27323	105173	64407	3486	3562	101454	57414	2551	16079	79413	18934	17821																	142235	130836	142348	115877	146624	157597	141650	145536	168762	170027	167297	120380	124852	136258	144427	121095																																											27155	19356	13681	37631	41758	39634	25503	54150	50121	38645	59725	28554	56317	40545
3-FUROIC ACID																																																																																																													36608	35493	66926	36064	49090	21863	34797
3-HYDROXYANTHRANILIC ACID																																																																																																																																									25198	16621	14160	22784	25388	19042	15128	25854	12767	6269	19888	11578	30575	32788	11760	3050
3-HYDROXYBENZYL ALCOHOL																																																																																																																																																																									278513	23851	29043	13968	40296	43118	38814	44466	27941	25633	35206	25177	48843	72175	97563	241340
3-HYDROXYGLUTARIC ACID, ALPHA-HYDROXYGLUTARIC ACID, CITRAMALIC ACID	22669	14058	8006	21103	34626	21896	31095	19646	25132	19975	22636	21197	18788	25402	19502	22721	17607	17420	16405	12053	6631	12429	19569	19310	17200	18036	31579	40727	27941	32066	28285	29094	24367	31525	31181	33266	31334	33352	41116	11679	9279	12838	12199	13286	8141	11515	10833	10559	13329	10466	9951	10539	11163	14146	12423	13836	16916	14825	14288	28315	26622	29823	27234	28991	30036	19120	36150	31735	44575	61592	41018	35405	52350	57815	61117	56044	18519	54902	15823	61887	56415	76276	76018	80403	89898	24817	24813	21910	22423	13703	25387	25478	24462	21537	22188	22412	27249	28693	19168	24327	27786	49098	22574	20207	26044	21899	27663	19905	49364	43549	59835	76092	151103	398203	310166	17483	19443	29299	26978	25311	55921	45719	25567	28358	30448	26150	21343	22757	25874	21538	320880	364883	330747	142388	815206	444858	90526	106827	90727	72953	123599	138318	137681	149162	138639	145408	159402	409568	348017	400375	527878	549447	127478	136966	91306	101733	179890	171259	191488	160870	205906	200079	158087	605888	516655	483864	310824	526577	220685	361607	315041	464126	434318	477090	399418	660099	322861	524638	687065	597275	475797	486342	491456	472782	480104	365537	413504	371386	474429	361063	532163	360680	451251	370639	340742	328552	345539	373935	342012	418577	55718	61570	60365	60294	46315	51358	69888	107533	107761	228891	135269	204100	250153	142681															138594	185599	258418	193660	171900	137442	202061	139201	245187	400062	470746	392818	396073	550212	105658	115306	122904	186136	115548	115383	119119	108272	88228	156014	239252	138718	143916	138060
3-HYDROXYINDOLE																																																																																																																											0	0	0	0	0	0	59	0	17822	30235	34027	8668	50624	33414
3-HYDROXYISOVALERIC ACID	0	0	0	869	1615	9231	16705	0	0	0	0	0	2149	4775	2557	2759	2179	9092	9014	8019	6548	4116	33061																	16439	17122	34563	15754	33030	20132	19963	13976	13169	14517	13461	24605	15806	31324	47272	18408	22517	51432	25380	33899																											30988	32197	25425	27551	27463	35525	37794	31387	32556	13682	10631	12239	9729	3120	2969	2503	4523	2991	2822	5589	223	108	120								60005	53586	57205	45958	33244	15062	28906																																																															186787	203939	110437	123598	244456	227766	297792	304346	210565	322478	261546	177695	178774	119609	111963	128265																																											58805	92363	68341	83822	79160	89731	86915	64469	71175	80795	96193	87116	84060	93419
3-METHYLADIPIC ACID, PIMELIC ACID																																																																																																																																																																									37792	43451	59550	44110	57584	55435	76883	75254	69612	64709	79376	56798	93925	74946	67516	68625	57986	38670	62711	44619	55456	44567	44021	46103	16383	60860	59173	66396	55848	53504	63461	20193																													16828	15374	28193	24231	31707	38792	27385	17685	25126	21026	27103	20979	22874	25127
3-METHYLGLUTACONIC ACID																																																																																																																				35570	37336	34413	29108	37059	32109	35704	11435	8297	11652	10658	8372	10584	14750	12786	14848	18031	19149	16362	21756	32154	14579	13484	11500	12851	17291	28230	20768	21413	21698	20515	29419	15671	12543	19229	16476	13022	25777	16199	25538	15928	30895	32063	25645	28434	31389	29530	34381	39284	30571	26266	22595	22165																	127276	150739	146801	122433	135863	140482	140878	151223	84817	95123	154373	71789	79953	84263	83829	79031
3-NITRO-TYROSINE																																																																																																																																																																																									77556	74998	63447	50047	66532	47663	65753	57492	49692	54819	60193	49428	51913	51503	47960	40604
3-PHENYLLACTIC ACID																								1187	3587	4925	13666	17777	8261	4899	8480	12604	9333	21651	23184	24286	27019	16304	22941																					4133	1281	4595	2484	2453	6847	4659	5962	4147	32727	0	98714	45485	5055	5594	3913	3706	6405	9162	7624	8251	11009	36377	43864	24411	35043														8924	11211	13542	15533	10866	12483	18343	11475	4829	2439	24486	24759	27819	37366	32883	22639	17286								3537	4095	3480	3199	5413	4706	4211	3798	13826	10163	15508	12663	14530	20362	5941	8154	8194	7651	6256	9686	6654	6486	6425	7882	7057	228850	127910	165214	141056	127819	8805	8339	1503	1349	7661	4895	2650	8004	1879	5270	8032	465973	288054	258429	280356	275278	35955	30285	27846	20058	126926	166089	262344	209397	207008	270234	365116	231387	284305	294357	294459	265646	30221	28437	23906	21193	33488	38491	28198	37462	33233	44318	41871	25342	25644	26961	38614	29929	296	195	939	318	1384	315	0	921	2805	63219	103201	28255	78189	84506	1219	232	310	534	2253	1473	3474	1038	61	132941	171814	195832	164715	191086
3-PHOSPHOGLYCERIC ACID																																																																																																													13753	14735	17023	14030	4795	14259	9063
3-SULFINO-ALANINE																																																												19054	15472	19781	20976	26797	24185	27146	25326	26425	20501	21013	21445	23212	15983	12845	14556	13554	17905	18077	22119	21837	18929	17290	17634	17214	18353																																						14318	12520	13566	14605	17641	19932	16206	17338	10045	7624	9888	23177	5464	9836	109335	81470	13530	55697	94462	36202	31016	10431	13784	26941	27846	158827	133349	138225	135654	101405																	31582	37476	56599	70163	67871	73686	70658	53521	60040	55575	68146	65092	78975	88024	87367	102999
3-UREIDOPROPIONATE, ASPARAGINE, GLYCYL-GLYCINE	21357	17071	9757	6339	7531	3979	5870	17720	24437	19363	23067	24044	3991	1178	4631	883	3901	5885	3706	3414	4546	1003	6139																																					61878	71952	72981	104988	28045	31020	34924	35976	27613	66007	64268	55449	65349	91976	79582	118432	107245	43502	58595	35805	39809	29586	73838	84990	78471	77770																															15420	12853	12498	11940	17979	16982	14936	95453	69857	68991	89078	59884	79264	61601	76422	33086	29696	19442	12912	7718	1130	382048	389088	300384	379775	403659	424456	392826	323862	458394	548948	455505	207158	185434	181587	140388	137249	290236	405491	390499	491116	285642	521481	431978	624044	611484	707437	415102	124465	80726	80740	78448	112620																																	273776	122396	208278	191505	206191	196309	193566	163642	233115	58987	63572	52811	58292	37022	285951	177095	299912	212903	167946	221352	204311	216250	207333	48952	69729	67710	56456	88576
3,4-DIHYDROXYBENZOATE, 3,5-DIHYDROXYBENZOIC ACID																																																																																																													16362	16522	15351	14575	17676	20593	14528																																																						52521	66516	15603	45442	93485	65403	133035	75242	91894	80992	99270	33433	94889	134229	128248	155120																																													23991	19585	30976	25405	35465	34627	30764	19979	26364	27941	26890	27776	24706	24628
3,4-DIHYDROXYMANDELIC ACID																																																																																																																																									29993	40666	20131	29937	17905	30156	11564	28395	50497	72575	23581	21621	20259	23316	40284	28285	27468	31716	34474	18830	19961	33808	22912	47736	71045	81190	40912	23993	25239	9820	21936	26260	24009	22145	38968	50654	46155	51112	56050	35001	41673	30673	42479	43775	18569	47433	51379	53349	73198	65788	70746	61472	75785	66189	51764	71296	86080	97195	74746	55552	42680	50943	54149	42300
3,4-DIHYDROXYPHENYLACETIC ACID, 3-HYDROXYMANDELIC ACID, 4-HYDROXYMANDELIC ACID, VANILLIC ACID																																																																																																													13334	13866	13366	14176	9539	15086	14152																																																						25503	239774	478778	336951	332924	408550	856418	388445	530467	395975	600124	447950	788960	737111	531804	541375
4-ACETAMIDOBUTANOIC ACID																																																																																																																																																																									38369	70674	40433	44585	53480	34187	50864	52247	53300	45656	62383	17934	79472	93701	112329	46850																																													31263	26164	20794	25369	63167	69625	35323	41508	48268	79297	79418	49830	37157	73429
4-ACETAMIDOPHENOL																								39870	36866	59757	51047	51627	47226	44845	45833	75193	17930	57179	65908	64335	62533	37895	58502																																																												38574	27198	19841	34635	26860	31830	30257	26455	39422	18172	177371	193875	130409	92861	110913	219471	123654																																																						91417	133905	185928	174389	357162	374007	520159	269962	254763	181530	354796	229425	271134	253626	300866	222130
4-AMINOBENZOIC ACID, TRIGONELLINE																																																																																																													5865	6130	5089	5199	12014	12733	17670																																																						41988	66335	63795	66992	110413	90248	129858	89992	119339	81515	100904	112772	81717	126606	109299	153649																																													20282	14934	22973	31689	25748	37209	23282	23641	33128	32268	18113	24012	24596	26089
4-AMINOBUTANOIC ACID	18329	17026	8801	35192	37995	50127	59936	13622	20221	15990	17803	20216	26604	37274	30347	32447	31149	36516	31538	31131	38927	24183	48448																																					71667	60654	66653	65477	95103	123677	134350	97504	63647	172812	150287	125679	182299	113055	55109	67717	82602	124032	126742	142992	122673	124806	191138	221540	205735	171001																								18761	19605	25583	21851	46150	47245	40809								85071	41276	51865	58918	57358	53980	54997	56918	130727	146861	152601	97125	218338	188261	315455	372269	265101	380754	277637	298724	278277	301703	332319	482079	279368	91288	77786	75718	77041	73424	270363	476296	361615	445411	263904	429437	287511	438016	524700	514333	337951	153967	157083	116799	157794	139378																																	184274	140791	137249	143616	224341	172804	157375	172392	196100	30536	26156	24594	28486	24767	221821	161272	221165	192479	191461	238633	225963	268572	249594	24857	44313	32830	44820	68429															10715	7677	7915	6314	9781	9732	6869	7759	9310	8558	8951	6803	7575	5969
4-BROMO-PHENYLALANINE	63074	92975	59129	56260	85572	54086	102021	65012	96064	96244	111427	82424	49817	72026	51405	57582	69371	83018	85175	48269	56241	52217	76981	58740	45733	31073	33428	21603	28816	39038	65849	24497	66189	33580	18162	26403	24325	60878	30877	71751	82791	83473	80947	74039	96137	88654	75113	72442	103103	98784	69146	83460	73851	40543	108644	40668	119764	100808	75009	448784	447180	451674	450656	453674	425380	430418	427990	449015	443950	444629	460164	455027	464584	480696	481477	495789	462228	455852	453999	453402	447974	478283	468783	482156	463844	78965	68057	76125	73834	72655	92516	96715	87984	70023	81122	73666	86130	74191	64087	64869	69606	50123	66697	57822	58073	71697	67379	61112	156012	163021	139974	174412	130777	113865	166653	176409	138059	186132	198432	143605	145696	171420	252807	250532	256697	246974	246887	247057	248758	248525	202642	275438	267825	261521	297031	294768	1334348	1272126	1239270	1253714	1345656	1359946	1303167	1346080	1267296	1128162	1377580	1206669	1251872	1223867	1158381	1244819	1217857	1299172	1244470	1231249	778544	926788	822568	863936	1336271	862974	929819	902902	902736	874838	918586	974891	1438768	1398738	1364482	1396950	1389480	1385362	1344992	1374580	1303838	1366587	1322569	1341050	1329958	1305269	1302651	1275894	1638409	1564046	1623625	1564009	1629093	1683763	1547532	1647078	1458255	1520284	1529230	1485818	1468651	1446938	1470170	1370277	632651	598508	623188	631282	580791	617622	578610	635517	596708	567009	592417	611552	611244	509921	655780	505513	634293	650366	618684	638456	634686	622511	622608	668675	648617	632581	630036	627568	578258	515548	286748	474464	245321	237364	343252	528792	195505	261324	251894	264386	256264	208629	601321	966240	976803	958631	974529	932540	663803	954823	660764	977120	226391	343503	978928	987304
4-CHLORO-PHENYLALANINE	69655	91197	55035	55621	83563	61903	97844	75705	111410	112663	112551	96839	52026	77748	56931	62990	63977	89900	96833	55706	71961	60750	104169	97015	97976	110136	121147	100748	101981	122447	107822	115760	103979	124573	108449	99400	103622	101118	107872	112047	129150	132443	129976	110534	164664	139232	116754	114340	165716	162005	110207	129789	112838	179309	178884	183518	197162	159295	118684	4977840	4795145	4860046	5065760	5230008	4967962	4984690	4927822	5395778	4952909	4819389	5170001	5038920	4416697	4740985	4737708	4929687	4715420	4547654	4636690	4617928	4626722	4893414	4804102	5015125	4602473	123444	113020	136774	121118	118230	164656	158234	108051	134820	134152	111276	117951	134508	104470	112100	103901	95571	107947	100657	94116	93471	87545	91449	391766	393968	392117	374388	375433	311033	352906	346652	346235	334512	357264	351320	307132	349151	231886	188949	217814	205896	229376	219397	229252	222826	149541	192664	189176	193198	181722	178135	984595	957346	919222	939009	993109	1004999	972048	971888	915343	822362	1003646	853008	925330	898640	848064	884852	1018981	979718	928582	937279	557922	995100	922998	697181	770564	1026713	1097788	924282	989321	759501	689476	1043028	1621544	1579761	1574684	1567008	1564854	1536233	1484674	1558478	1467090	1528359	1454756	1562002	1533935	1509571	1499368	1509110	1956104	1798726	1886964	1930793	2023016	2004307	1891715	1939334	1825694	1829414	1866403	1709985	1666012	1635164	1574174	1404766	411808	395336	407337	389941	391944	405718	362865	429688	504242	345540	377871	397872	392032	328994	356804	408247	393008	417721	405955	418539	419202	406048	403757	430504	326754	398014	383019	366168	591079	652772	528633	531685	514112	437063	954595	688997	900433	654229	597660	611413	587332	959797	567633	723496	1054726	619473	720969	1037658	679458	1015046	716059	719988	1053849	647986	721114	1070588
4-ETHYLOCTANOIC ACID	5067	5923	4969	5300	8061	4880	6842	7751	6760	6262	6509	4667	4873	6817	4699	5578	5011	21283	5912	4213	4829	4785	8606																																					32614	28820	19132	22243	30341	26188	30385	21449	22585	21133	23876	30549	25957	26615	89683	24057	27216	51932	74715	28920	25278	28406	28980	31151	21013	27325	36484	35023	25274	35684	34715	33221	35213	28931	23899	31048	28436	31992	31194																		49891	44009	46092	40279	71878	64682	47129	10488	31689	8674	6905	6412	5587	6323	6170	17458	27009	27548	13868	38506	18228																	37266	242737	860965	193810	49908	85432	122834	3418642	411240	303742	66845	88608	130290	88242	99533	144508	32701	32896	32927	32164	30030	33458	33786	31631	31816	33212	33285	27600	29762	29438	30949	22922																															23966	26355	22473	255103	28986	61067	29118	89782	215076	28710	413271	41532	17254	40477															147098	191172	120409	361523	159988	256249	158937	163106	152204	141006	224153	218630	163745	141780
4-GUANIDINOBUTANOIC ACID																																																																																																																																																																									52158	60515	122006	90348	101737	112667	160778	105434	103901	69850	81898	242060	180539	248874	135405	191779
4-HYDROXY-3-METHOXYMANDELIC ACID																																																																																																																																																																									60455	67848	73902	93171	134538	134361	178092	130391	118473	119365	173128	122513	109757	77787	85612	70206																																													7615	9106	8577	14993	13990	13678	10619	14101	13738	13491	14174	13858	11863	11808
4-HYDROXYBENZALDEHYDE																																																																																																			13956	45627	35619	60242	38009	26979	34988	9117	15154	8048								8641	9796	8982	6092	17293	37700	13049	12810	16277	16551	16646	14898	12438	12773	14514	13998	21141	19683	16557	53974	26624	25265	31078	17785	29214	35914	42659	38614	52905	51860	36409	34782	46845	35766	40191	32058	31962	38269	34390	35841	30612	38370	40177	39483	36805	42738	43812	33392	54738	41907	44222	46797	43678
4-HYDROXYBENZOIC ACID																																																																																																			2066	760	0	780	1157	0	1024	10978	17163	11061	9342	10881	15883	10525	35173	47773	25700																																																																																																																		50555	45130	71078	77345	83211	74439	44103	44667	58860	84993	93809	84178	77806	83064
4-HYDROXYCYCLOHEXANECARBOXYLIC ACID																																																																																																																																																																									7615	9247	15928	10870	12976	12723	17579	14983	15527	16974	15816	14374	18743	18712	17682	19444
4-HYDROXYPHENYL ACETIC ACID																								3933	3041	2933	6713	5628	4492	5916	3288	5333	2638	9262	7632	11044	13127	8022	10189																																																												2350	3099	3185	9707	6348	6119	6355	2341	3029	1981																																																													54053	77764	103748	86052	79205	108715	89351	89088	101226	91689	86520	76759	86505	104566	94193	85646																																													34488	28990	39888	40210	57657	55710	34165	36932	41257	49244	48996	43028	38675	47710
4-HYDROXYPHENYL ACETIC ACID, MANDELIC ACID	0	0	0	8158	6908	11111	4018	214	1300	369	293	218	1768	19559	9743	10718	10721	10851	13841	11150	2324	1448	13501																																																																																																				25	125	109	0	328	0	121	0	25429	53689	39189	90675	19771	26280
4-HYDROXYPHENYL-D4-ALANINE																																																																																																																																									54925	42233	52301	47518	52316	34287	40818	41583	50341	51770	54008	45207	41941	52114	43067	35009																	66086	84112	60028	79749	63470	91282	85692	94624	63586	65904	65926	61842	60694	80240	62502	52924	79853	68899	69629	71731	77630	85774	67971	71200	66315	62115	81013	72501	68051	73705	65013	68567
4-HYDROXYPROLINE, 5-AMINOLEVULINIC ACID																								656	1082	1043	34298	35692	32090	33373	19771	27163	1129	2109	1970	3651	1997	1454	1638																					16470	17446	23451	36571	41424	61300	85229	35589	33260	2981	2376	2355	3311	21492	15274	18404	26253	70056	69854	102156	77134	79908	1579	3879	1185	1858																																						16618	21975	13498	19550	14269	17532	18894	17847	7968	6441	14971	15073	25465	18888
4-IMIDAZOLEACETIC ACID																																																																																																			8324	9431	8429	6685	5194	7137	7397	748	1237	387																																													32263	32985	38022	32471	10842	12866	6965	12199	25272	9755	11927	80478	56283	42760	43549	31546	52200	51726	84805	83989	74946	94571	111801	85855	75967	60723	101194	64299	111304	134544	84029	133250																																													18377	14031	27666	31885	28648	35247	17621	26205	24590	31065	18841	28003	23984	21012
4-METHYLVALERIC ACID	1402	1559	625	1308	3281	1915	2449	2010	1946	1800	2126	1756	1578	4338	2052	2233	2154	13172	10684	1660	787	851	3446																																					1299	1379	1080	3213	1102	1777	145	2591	2012	8930	13082	13764	23942	1290	201	950	1609	1885	1895	851	2118	2419	17348	10804	29183	17608																																																				34677	39365	37027	36002	50264	51263	50729	52815	51035	38745	60556	44200	43019	43653	39331	40671	47899	50402	48121	43499	47005	38530	32724	32601	34564	59274	54689	62418	46255	32705	14542	33977																	266333	225692	223490	244529	232482	229272	260385	266438	198240	243192	263902	227584	228130	261587	221346	223502	22952	25214	26475	26178	19422	25521	23323	31011	33202	18249	19735	22802	21243	14940	26747	15591	23717	24021	25561	32458	15604	28314	20241	25944	26302	29561	29268	26784
4-PYRIDOXIC ACID	269	353	398	725	774	552	761	450	352	727	340	395	1002	1265	829	503	843	851	1049	977	878	1146	864	85357	61045	108509	74610	60689	57388	125917	39506	79811	20782	55456	59539	71700	71106	43340	82991																					109342	115228	107927	107848	136744	205589	229046	166908	187331	0	56265	94329	745	119318	116980	121642	123657	195786	220857	232346	212556	259343	135040	150524	131019	136323	9476	11035	9885	13927	21121	14841	22776	16508	10418	8161	17161	10514	6485	111918	148992	101098	192766	121943	103761	126969	77670	118443	109003	274517	270791	345619	259510	137702	182445	156362	27812	22080	23499	15861	14027	8620	8767	57980	54410	56659	59382	45488	53063	51864	45219	182687	212139	245700	46494	237052	230746	109199	174895	198556	102109	232894	234408	242193	270312	212973	256984	208303	301005	234105	344394	280011	169146	203822	222069	181807	186776	308339	280849	311713	223456	328017	316188	218765	362036	298092	344206	224386	266899																	89269	216057	118038	113302	72493	127134	101827	81238	65432	115202	85009	43534	53518	81879	61987	64475	60681	75984	87226	95032	102516	84398	112843	115820	118548	83572	134506	128570	92842	114705	92642	85127	92565	97744	108251	117465	123079	115307	97395	120200	140223	138006	138301	137490															66106	73704	67977	94080	69650	55846	42839	65781	106471	40436	57999	38822	55379	48021
5-AMINOIMIDAZOLE-4-CARBOXAMIDE-1-BETA-RIBOFURANOSYL 5'-MONOPHOSPHATE																																																																																																																																																																									9690	11978	24061	25923	19347	11999	27502	12283	20909	5138	7764	7137	9235	4096	17969	31106
5-AMINOPENTANOIC ACID, BETAINE	57	0	62	248	1001	23444	26411	0	332	0	29	0	204	957	864	323	250	28492	23990	13422	12819	17242	18846																																					1392	1377	668	1341	466	611	2162	1004	914	1240518	1500300	1177818	1629843	1502	1575	2158	1536	2723	2093	2197	912	1337	1543738	1640918	1753054	1460484														415	280	237	308	272	2930	561	8441	12822	8061								398783	693587	686636	322346	437445	834716	825507	3863	3851	2039	3688	1452	4111	2947	2904	56588	24345	49159	137098	60515	79457																																																	2416998	1455348	2316420	2469558	1881455	1186228	2058333	2209235	1563831	1580321	2194168	1584644	1621532	1668784	1795976	2031220
5-HYDROXYINDOLE																																																																																																																																																																									9435	9401	11208	9720	17517	18504	29547	14646	17916	20143	23647	21004	22131	24427	27426	26257
5-HYDROXYMETHYL-2-FURANCARBOXYLIC ACID																																																												12700	10885	15191	12115	16225	16319	17538	18534	16951	8250	8219	28921	13960	13942	10492	14787	16276	14111	13978	12316	11150	10092	9023	9688	8493	7492																															26337	28934	28827	32257	37499	24906	51992															25244	27280	23308	24937	9593	9775	10221	8284	11669	13504	13291	25654	17810	6892	18595	6304																	30196	42026	70533	52309	83576	102577	108661	85943	72672	72246	73794	90587	71807	75304	42152	107743																	28252	31727	34068	25927	6742	10518	5806	7849	11822	36681	29157	27142	33137	22496	39634	30555	48041	38789	4704	4223	11652	11144	4540	18830	25041	26645	31994	30833
5-SULFOSALICYLIC ACID																								5374	3806	4669	30219	26188	39804	39635	26585	17464	3019	6784	6179	6940	6736	4217	5770																					8641	10071	6014	9931	11058	11230	12759	15030	18210	59715	23740	18797	36189	6771	8372	6704	5586	6134	8907	10120	8749	13967	21950	48307	29857	17480														6344	7467	5030	8711	8159	8535	6863	122446	93693	154793																																													12663	12707	13721	8977	17824	30887	13724	13256	34899	37697	19445	14572	17337	34917	24531	16726																																	3365	3486	4018	5622	1981	2566	3115	5272	3372	16510	13448	12379	9511	8307	4559	3364	5153	4010	2829	1615	3297	5552	3584	10972	9665	9278	8680	6766
6-HYDROXYNICOTINIC ACID	6268	7593	6446	11552	7751	9953	10125	4433	6211	6090	6256	6022	10137	9801	7727	9048	9337	11319	11000	11334	13238	9046	7911	23200	19090	27800	16852	14811	16042	17862	15455	18200	13524	17167	15712	16281	22407	14948	18549																					27393	20819	36805	37159	32096	36001	46529	37741	35722	58229	58512	49314	51511	16227	21090	19855	17594	48143	41891	47073	48897	45642	58175	51399	48686	49808														15219	16281	14267	17278	18841	16454	13733	11813	15270	11662	30153	30059	31884	24528	43095	60007	52354								12793	17821	16157	16646	19134	23524	19825	20646	85409	71805	64403	166533	139674	127613	130862	127773	54630	51048	147961	120256	86354	45882	55640	86199	86556	236351	211391	217912	194590	200114																																																																													82453	109742	112595	115623	131084	125048	88551	137633	128977	120912	98731	139633	106249	96267
6-PHOSPHOGLUCONIC ACID																																																																																						6300	7690	5676	18046	16157	10980	8389	8583	8208	13335	8713	4808	8999																									5844	7134	6670	6425	7040	8966	8024	8828	12955	6572	14318	8279	4271	7692																	21540	31438	19604	22471	20028	17280	17539	7447	19385	13212	13474	15684	24807	28044	32130	29357																	13950	15810	17979	14720	20349	16267	17059	17038	16808	14852	19036	14076	15118	15645	17484	8681
8-HYDROXYQUINOLINE, INDOLE-3-CARBOXALDEHYDE																								9809	7791	19231	19049	15563	10411	13048	12049	11281	7802	12378	24406	25008	28659	8667	16905																					9651	11493	7814	11130	8847	20064	11533	13336	11064	29544	41178	28722	33660	13621	10854	13475	10827	14342	19940	19715	16703	18960	32813	43429	35826	32072														6534	12980	8465	16219	9400	10424	10111	5312	10785	6276															3645	0	0	0	0	772	1555	0	23911	45712	39055	31653	66664	43608	31006	26049	37850	26703	18721	31791	31800	37241	33806	23031	62953	90995	49243	48419	48652	45298	43760	28324	20927	37345	30707	36779	35964	30788	37570	26021	30627	60715	44428	40465	41733	39843	35797	57489	83873	71385	54345	61847	139678	77888	66264	84669	122842	21640	62188	68948	59328	28675	82629	55156	55003	61645	54459	61526	81393	103771	62035	141998	93501	35779	37447	41322	62411	46473
ACONITIC ACID																								72671	78316	87068	155623	178414	118640	167774	110857	137793	160715	157621	137546	96291	167942	182129	223022																					49138	52775	47811	47314	62598	33390	32851	63105	66838	65258	67899	66747	68823	52682	54159	54327	54421	43987	68573	26549	71195	59611	73012	73640	70320	68249	25641	29800	22305	24269	29046	32193	28886	29378	30447	28508	25564	27088	25552	81451	130845	133166	264649	145483	72295	147270	130842	159384	94465	324902	302280	441428	366718	914980	710231	807847	48911	54141	58441	68548	60417	71274	68821	26440	28478	27008	32126	29151	30203	27089	29413	1772	4090	5194	7794	4113	6216	198744	190382	209659	197442	200738	198406	214023	225423	210700	232015	222698	227835	204497	204096	213104	169403	181713	195896	193201	186347	185655	201563	198343	223830	245817	256028	201658	203654	189967	185468	190361	167449	1678606	2780033	2772737	3427521	2036886	2193658	3216751	4762014	1966789	3298411	4974568	1929017	2465967	1384833	2042368	1649112																															83450	74829	83970	88418	90094	98187	80986	90649	86858	90665	85650	100598	89000	91892	913205	1033845	1330195	1333902	1097352	874148	1621999	1151735	1244095	1588203	1711684	1812235	1721292	2066252	199578	274769	243407	144702	140058	159134	179054	125429	157060	207135	262107	331120	165893	199284
ADENINE																																																												904	2144	667	583	46539	14050	7928	12507	4944	6195	5404	5290	8077	1203	1139	3172	1489	5751	12898	13650	13173	13550	5955	8693	3429	5449																																						3228	786	3349	214	1339	2463	246	60	31723	23522	24109	92295	18774	32651
ADENOSINE 2',3'-CYCLIC MONOPHOSPHATE																																																																																																																																																																									9887	18265	32958	22504	27267	26637	28291	24340	31708	23015	31795	28707	35872	32365	37723	36149
ADENOSINE 3',5'-CYCLIC MONOPHOSPHATE																																																																																																													9780	11086	7271	14859	9196	10311	9645																																																																																																																		11670	7246	18303	16653	24994	22668	9725	7918	11758	15390	14067	13756	11255	11176
ADENOSINE 3',5'-DIPHOSPHATE																																																																																																																																																									19253	20047	19680	20510	13830	12957	16057	10112	10096	10992	11250	14448	10244	9896	6503	14645
ALANINE, SARCOSINE	30899	41310	24421	29455	53080	29366	33430	33102	50201	22429	47618	16952	57156	37676	43410	38016	32313	33265	30469	42573	50230	30593	59306																																																																																																				218405	71172	78034	145433	57679	105685	72210	69213	320922	256192	223255	252068	386684	254128																	893752	1545309	1632258	369706	1024208	1341180	1218233	1780552	1734316	1675518	1301037	1522186	1762187	356494	384264	1256728
ALLANTOIN																								75759	58746	98879	71165	64395	69973	69860	48921	78120	19889	87447	70328	69154	71051	69179	67973																					25580	23902	25467	30178	46195	57380	60528	58276	76227	43264	30156	23746	33172	23679	24424	24495	25945	45660	63058	77613	62371	109350	34366	46290	40208	31792														71020	64887	58099	91840	64104	68825	77945	52659	70015	57104	303418	312044	290634	259079	245971	276370	236209	14838	15019	15228	14552	17488	12111	16887	12811	15144	12221	15630	14057	14791	11570	16169	306	370	455	1635	1071	855	57068	73637	38082	46805	131931	75688	75992	100338	67806	123844	83942	126246	112977	146355	150019	90667																	449263	572905	1359735	713131	1352584	1336304	1736204	1001530	1475056	880264	1136340	1257616	1366065	2064944	1474448	1826268	74675	83213	76746	70581	66837	82451	51660	80784	89754	93129	71558	57007	62658	60993	68911	67408	18080	18232	17760	16229	12757	17129	17217	22654	16888	59585	60363	46850	46093	28627	14774	9611	17525	16918	13796	10187	14995	20104	15586	31012	48500	43426	44823	38968	335494	261254	465599	391600	497440	498153	292966	359741	375957	476001	342614	335797	376127	364920
ALLO-ISOLEUCINE, ISOLEUCINE	58072	40216	9071	61670	90717	56310	68085	44343	62320	41496	52560	64836	44111	105091	49183	53285	33053	65654	51117	55363	50791	17449	141888																	42051	45767	39529	51958	34697	31594	41094	38016	40845	100752	132250	38471	38510	39704	95936	124261	126078	114158	84864	42826																											52669	45091	66173	63210	43491	101207	111836	57158	74660	43025	42951	75888	48346																																																																																																																																																	3338607	3185994	3151603	2940360	3074056	3297829	2693313	2932140	1716210	2618766	2802440	2885045	2959981	2755913
ALLOSE, ALPHA-GLUCOSE, FRUCTOSE, GALACTOSE, GLUCOSE, GULOSE, MANNOSE, MYO-INOSITOL, PSICOSE, SORBOSE, TAGATOSE																								29671	27331	34710	21096	23425	19331	18820	27688	21007	16566	32404	20991	38289	36326	24612	38357	117434	133110	125897	111707	114282	97917	134785	112801	116576	137819	152182	120863	112710	112260	171638	152582	163298	187287	137674	136435	219208	188396	359994	352838	523469	548091	459355	567859	472055	323437	366741	193374	346566	169491	162619	165707	184661	435205	440891	444925	457576	433794	335736	345003	303375	320319	137476	132701	129020	132833	143872	150300	169745	159222	144470	130588	134345	138966	131888											103602	101768	114562	157702	92785	149020	95972	520101	520530	529961	485508	511201	493261	547108																																																																															265164	236507	244926	243272	294598	290328	256081	251806	274158	942725	633129	474464	757882	346062															195689	131475	213308	230004	392329	405924	235454	253589	337509	284386	233865	299950	293156	256088	321333	148537	254173	386927	352648	358865	514298	330705	366027	300329	360968	359682	379601	366247
ALLOTHREONINE, HOMOSERINE	33823	29473	16670	13238	16305	11814	17543	29683	43078	32618	42779	45258	10854	14054	7572	9745	5992	14760	9548	10242	11188	6916	21274																																					105574	134661	107693	186713	13636	20907	14923	15425	16642	26971	27302	17357	21643	200148	123343	167124	188047	46666	80867	46192	49631	52824	37468	63411	44883	48669																																						213030	144699	141658	189547	110208	164704	107883	168546	100564	101247	93084	60037	98100	93713	553140	371297	88695	648749	184940	226340	215530	47768	110437	189196	154807	83818	68686	52421	83880	96260																	14571	17626	19226	17000	24348	26823	30898	25098	35141	29590	31792	24620	31453	37992	35634	34514	93636	83106	106191	116885	57834	59130	44171	72375	80751	106117	34594	61094	40341	47086	49994	66594
ALPHA-AMINOADIPIC ACID, AMINOADIPIC ACID, N-METHYL-GLUTAMATE																																																																																																																																									22341	22123	20771	13789	24952	21837	21778	21558	20972	21206	21430	26663	23010	24649	28525	20717																																	18877	12608	13083	15768	12518	15583	15431	18083	17404	18950	16456	11967	11226	10080	15558	15540
ALPHA-ARBUTIN																																																																																																																																																																									9640	16877	16445	13439	29991	27715	32287	21326	21338	16040	26351	22759	26456	22213	21854	20082
ALPHA-GALACTOSE 1-PHOSPHATE, MANNOSE 6-PHOSPHATE																																																																																																																																																																																																																																																			23692	14057	10971	14389	21685	19680	12230	20276	18186	16155	21799	13674	16191	11861
ALPHA-KETOGLUTARIC ACID																								6127	7090	4463	17269	15546	12464	19171	10365	9449	133656	21503	12671	9930	16738	48648	49569	24912	13433	18868	21277	28820	6518	8751	16579	20074	31185	18314	26193	16458	23904	19232	20587	19957	20764	21034	20218	4983	4417	4926	3870	8779	7292	7052	7990	8057	39113	31444	15478	59983	11165	5004	6444	4076	11475	9357	1656	16609	16493	10208	9549	10763	8355	26642	37713	26441	33664	19732	28798	21590	31850	24703	28890	24435	29762	30702	8043	23836	6404	92271	23544	6999	17251	20885	20570	9251	17872	16121	54878	14778	490813	860817	380088								3756	2736	2902	3968	2345	2084	3062	2803	26071	32245	30658	13650	137381	105643	13652	19800	15043	16214	167461	117927	148320	149924	228904	122359	90561	99348	93433	125046	118865	151804																	574818	2404020	604048	2647525	230283	330296	361946	3745402	303775	2381983	2747502	156577	254289	133336	347136	162285	1177715	1030834	1067067	1046413	927359	1130516	1336536	1038846	1189650	1493252	1288880	594222	664067	617459	1400625	1333012	7071	7381	7047	7339	122059	99225	64056	45548	45593	16997	25265	32341	27686	33727															461519	981604	1081253	582522	208388	136800	827667	331418	968593	747519	1868182	1594522	1848725	2872572	255335	333787	385939	255343	198891	232966	251819	243248	214685	294411	309463	324033	246912	290424
ALPHA-N-ACETYL-GLUTAMINE																								47732	45410	61585	26259	25331	13106	17653	10196	35388	47501	73058	47555	52847	56238	51835	66014																					8349	8431	8732	12098	13766	18429	17876	12687	6238	13023	30684	12605	20363	8069	8489	6734	9729	13911	18372	30655	14678	17708	23106	21059	16947	15660														66342	68725	42092	59958	39176	35240	56668	9852	13542	7654																																																													355886	570979	1088896	668423	597611	569994	801107	621683	769690	517670	654419	928589	843073	819678	878286	572157																																													216944	189613	236584	280797	504699	502680	312150	178436	349450	328226	255893	323167	270801	259815
ALPHA-RHAMNOSE, FUCOSE																																																																																																																				62002	51201	51823	49055	44208	32368	52498																																															105650	156320	212118	163116	365415	272660	452673	245219	278752	209064	379588	276239	365718	427503	175600	446008
AMINOMALONIC ACID																																																												242	148	279	155	6318	29387	16793	25196	5925	2061	2126	1145	2439	559	219	501	138	38856	24522	3520	25566	29472	766	1369	425	1420
ANDROSTERONE																																																												9383	7341	11818	8813	5382	23419	10759	12917	5790	13314	17480	14681	18364	15036	9574	10822	10347	19152	23913	20461	21562	17259	19202	23655	17261	17153																																																				38020	57900	52004	16021	70626	77564	75641	75266	51824	53373	73673	72283	37307	71007	52688	67013	37770	47223	51967	36911	42962	57046	58233	43858	55883	60931	47038	88006	81588	36298	68503	66938																	98711	72918	68565	85240	101682	86017	88149	105865	129611	61399	79341	60153	39445	35566	46022	36176
ARABINOSE	75740	91150	46592	183426	114619	206334	149154	57440	93075	82351	84239	86036	129599	170021	88920	96208	93979	143830	138961	138018	163561	104334	128776	296494	276415	369891	204380	209970	218877	206749	202392	216803	118809	360496	207406	345532	480785	175354	310511																					199312	197992	251343	299584	404210	484991	461963	488328	403322	358552	396505	326192	349874	121285	140877	174092	154708	302608	339599	403296	349298	325547	339254	358369	287399	272113														126688	136864	101316	232287	148436	144190	138831	106379	135072	89238	353554	363974	378136	314493	297874	524872	334538								103657	121594	99820	137962	153665	205757	141553	185095	27594	30549	37244	24463	29924	34190	1297717	1139436	702556	1334198	1420464	1319280	1250844	866303	815698	1374470	893912	3221724	2344786	2162852	2509736	1566544	632591	856027	771945	1163104	891189	971855	980158	849392	1431838	1389802	832325	1281141	1077372	1462667	1313090	786932	1287553	1505879	2285707	2068168	3705541	3609891	3172420	2438199	3408241	3184407	3809590	2624580	4270984	4984502	4261668	4613883
ARABINOSE, LYXOSE, RIBOSE, XYLOSE																																																																																																																											103990	122019	100244	138606	154296	206226	141896	185987	27611	29528	35478	24463	29699	31805																																																																	395960	323990	727199	593961	517474	612563	606069	556726	547418	1478691	1217829	762943	1449497	683352	566156	397019	805289	450214	458765	497219	596894	644235	500502	478353	657084	664948	804086	811398	503382	839879	1869213	1454267	1734356	1259312	1247938	1488127	1414226	1345883	1329443	990275	1163334	1300029
ARABITOL, XYLITOL																																																												62255	60353	62335	69948	105856	121182	115586	129352	113437	80942	97982	87170	90471	58927	54086	59516	64218	111227	108830	129474	125114	122604	87104	93368	86967	87138														14424	12210	10238	16466	13499	11713	14493	8686	10997	7432	39334	41927	44905	36731	32171	41687	29085								31507	33427	33408	37129	38634	39595	36874	41785	2656	2527	2947	1830	2975	3345	170597	163229	139869	170115	24997	28937	32236	26053	21206	3487	21723	296024	229136	249290	245481	180254	171524	62113	23086	84271	27881	28667	22159	22002	32385	29641	22886	150630	158050	128650	170062	161917	89809	105079	226282	124153	149845	152467	177067	175264	150771	145658	181852	251815	203878	261069	246144	264518																	57192	56110	49424	50370	1479	1351	287	1106	2119	98584	80094	79004	92262	55413	52363	32127	50029	51224	2199	2061	2145	2913	730	51664	75166	73604	80993	72921
ARGININE																																																												17938	27405	19145	21307	34554	46284	44377	30047	23624	12251	11452	7678	8307	70489	27367	33783	41927	51156	87285	69687	54282	52551	17565	32436	23432	23049																																						259741	75817	108335	117184	78821	85780	76443	78238	121986	160778	155741	63576	88125	28442	182253	278978	204263	220729	273688	247394	171441	251450	276742	400630	182065	627344	774082	531654	630600	326090																																																	105799	95296	90641	84530	138481	143074	121474	126286	131016	200938	175965	175431	202340	181902	134901	80233	122750	126850	124173	139455	126282	181519	154402	172001	235490	176014	213069	235678															8231	2806	11944	13107	11708	15205	17637	17405	9472	16674	14513	21510	12013	16078
ASCORBIC ACID, GLUCURONOLACTONE																								49859	37546	40919	24754	26314	31389	37366	27559	24160	13471	25594	29196	26882	30138	20189	20677																					64337	56505	58458	59974	50142	66285	47149	64030	59237	82953	88951	80050	73940	77830	60566	68380	70373	74225	92302	60490	110395	140414	75308	90144	80363	70835														35485	42249	41621	43402	40036	48671	43758	43465	40341	64179	252310	253428	294104	312393	218731	105385	177987																																																						1853146	1695975	2933180	1836626	2919701	2781205	3694774	1479111	2551340	1387339	1734737	3356028	3504867	2898768	4736405	3944379																	78958	81741	102406	98150	90609	81833	119831	116548	118910	105007	178028	111371	99564	124712	82458	96822	93018	88803	133242	109476	103502	100824	103664	123469	114526	127960	104678	112872	926481	836965	1083677	1246386	2016592	2384797	1172820	813811	1134768	945968	897077	954697	836372	907768	189854	241410	179415	277342	240596	227020	187335	226150	186862	196201	219762	209659	222344	200180
ASP-PHE																																																												10604	8593	6793	7138	11490	17271	11268	15765	14618	13522	13339	9969	11660	34120	12965	14047	10679	36101	49392	28245	27776	33491	16399	29228	22220	20286																																						37493	8494	10308	9113	9239	9930	10655	9166	8537	17999	13821	22459	9713	11455	792411	752376	695498	906297	835818	680627	846061	866721	764695	710415	702356	131946	120465	80883	12269	64478	751179	879591	631160	787137	674169	682192	740357	739076	758939	787662	596802	17090	14074	15210	16597	13825	85604	113108	303675	152527	147859	168751	248422	136675	190973	102450	148539	71819	77860	76182	129247	133132	22789	22082	21401	17966	19293	17997	16408	12932	14962	19834	15644	5592	5227	4434	6580	15361
ASPARTIC ACID	33749	28296	15171	60345	68040	60742	78194	21630	31505	27129	38023	34759	50983	66774	43775	47547	34873	56105	45013	53424	62540	33041	90282																																					105996	105921	109066	95011	65990	94957	78452	69446	77818	193807	170936	115917	156999	273813	104406	145571	168238	176570	237661	180522	193687	221930	218997	280652	232668	238987																																						177729	63945	75132	85494	74647	72597	76903	73493	333333	395792	326228	160384	213822	155863	574212	587053	502482	529916	434635	490272	448497	470242	537459	663541	514888	432868	264402	285844	365754	341218	547684	850062	901352	881799	434974	704862	645980	744866	779844	808025	600713	664217	740212	570923	859983	870872	53592	53196	66370	58371	77983	74141	80710	75477	77460	84954	92486	72282	76943	103033	83872	101217																	233961	184229	192969	199115	211049	145789	218905	220283	250843	92829	135248	95499	79216	96352	456688	284434	413717	335836	243710	281529	313806	412145	337673	73437	202776	112177	156257	248204	23126	19857	25495	28725	28782	33964	25359	23418	31292	34383	26985	29815	32586	30705	20005	12694	12497	16854	21199	23463	14949	15390	22503	14838	19682	13627	14815	13710
BENZALDEHYDE																																																																																																																											10616	8147	8344	10443	11179	14607	14523	13881	7360	13907	11165	7111	11276	7753
BENZYL ALCOHOL																																																																																																			0	0	0	1743	538	880	959	0	0	0	3565	4527	3111	3270	539863	726074	388460	625	767	672	387	95127	101614	65936	1621	866	943	2806	1074	701	1202	1051	9119	19365	11891	5075	11447	7099																																	1861	4216	6087	4686	15090	19578	26931	20938	27295	25208	31010	8298	10116	12078	13187	9098
BETA-ALANINE																								28779	38153	41894	19390	16114	19008	11441	24065	36540	41184	62660	61852	95920	46891	35471	51637																																																												45147	42784	66297	47215	41637	53758	54002	9121	25889	6260	73037	66855	73110	104135	95937	193284	113853	58022	56711	61016	83075	63687	72975	62589																																															366056	474154	420419	422840	969736	1017238	955512	511703	679141	472081	671707	629151	861380	1006697	1007775	594788																																													105752	64500	140287	126188	65338	89881	162278	187507	194743	66379	246603	113807	124639	167139
BETA-LACTOSE	46321	36588	21760	13191	11303	11027	10901	31294	36344	25845	26099	30721	8807	10557	7512	8396	8248	9015	7340	6301	6655	6836	7218																																					265948	201228	438147	449740	5542	7964	7016	8621	7441	392377	406439	445362	432096	115849	131379	150658	130888	6372	7406	10189	7365	5696	338836	318415	312125	329926																																																																																				37507	57110	100977	84689	83457	88479	89626	80675	108904	114800	181511	101262	68393	109862	84308	130724																	314415	221819	423685	298351	197341	221349	205407	166342	208533	48558	21764	20850	29241	12804	391989	260166	413369	250453	146282	177671	188402	177110	178210	15151	16072	19497	21678	19955
BETA-N-ACETYLGLUCOSAMINE																																																												9206	182	130	7288	91116	20021	39992	88355	48829	42382	43131	18289	41805	716	956	293	0	16364	10082	28629	15467	31946	20231	28830	30069	10573																																																																																				22989	14328	29103	17167	6971	10980	26194	14201	17271	7721	17222	17499	18857	12098	34935	31858	9253	10922	6703	9236	9554	8812	10354	8775	11302	11238	8695	6447	8236	7264	8469	12843
BUTYLATED HYDROXYTOLUENE																																																																																																																																																									34990	57352	35540	56506	55264	68352	42950	30901	40863	73608	40438	43635	37723	47433	70732	75644	31991	36971	33020	26818	22434	19712	30118	24179	12173	14679	26976	12689	21750	14092	22224	22502	45954	39794	32510	35031	39239	37941	33661	39989	40728	38828	46081	41737	35160	37155	42949	26508
CAPRYLIC ACID																																																																																																																				20186	19028	19084	15856	37211	31565	21216															29465	29846	26548	25677	32485	34837	20601	34770	22611	32723	39206	33297	20403	33032	21730	22279	17670	23720	53353	31774	21108	18325	24356	169382	39745	34665	40552	26304	26815	22402	38356	26345																	255499	241649	216492	210861	248115	199027	221819	244400	158332	214600	235082	193257	177371	256477	228436	192714																																											57170	77206	55685	220388	55610	117810	62489	81962	49381	54219	104315	120016	55497	58093
CAPRYLOYL GLYCINE																																																																																																			1046	1397	3147	1942	784	1550	2228	1112	2487	1948	4054	3746	2652	5839	8359	4408	2909																																																						10963	13690	26546	21108	25869	27544	64601	29000	30959	41403	50696	22851	34675	32423	47776	59099	11173	11356	7821	9107	19568	12554	14239	16873	22173	14867	12007	12102	10046	9712	13658	13003
CARNOSINE																																																																																																																																																																									28169	31027	94478	72520	57786	44512	75424	39220	78831	21035	65285	50363	126865	92647	158318	152928
CATECHIN																																																																																																													14781	14719	11633	6497	349	800	0
CATECHOL																								32757	27055	47473	41750	41221	31816	37540	31215	57281	10133	42801	49953	45791	48449	31078	45701																																															8141	6942	5119	12355	5653	12852	7228	13316	4983	10389	9183	4915	5030	23621	22150	15170	34163	25015	27553	25946	21357	32065	18114	180435	179459	164105	108987	161249	236820	128630	49099	39554	35816	24798	26147	46687	30928																																															94363	127524	187185	175498	295985	288000	475410	235825	259935	248680	381141	297981	313947	340455	369874	278222	110158	94248	84741	97266	172769	84337	125481	125050	60295	141481	130947	60045	56066	54649	63893	44857																																											37716	80422	56749	32414	17062	31582	61911	39510	20525	30514	70273	26983	41486	34851
CELLOBIOSE, LACTULOSE, MALTOSE, MELIBIOSE, PALATINOSE, SUCROSE, TURANOSE																																																																																																																																																																																																									207231	214857	134863	172821	151018	162332	147645	146036	144289	40442	72690	46978	41796	70606	135001	136289	176979	159809	123247	142393	121270	170885	121694	70185	70343	42636	63900	63674	22473	28123	37004	20167	38507	45948	35574	40330	34273	35861	54288	34306	83984	46142
CHENODEOXYCHOLIC ACID, DEOXYCHOLIC ACID																																																																																																																				2194	1725	1979	1881	44183	33139	23459	2177	3034	3198	2290	3685	3724	4035	3686	10715621	15989852	17923422	13898123	17279868	19020420	103192	115295	107643	106973	125793	111061	107380	101168	105978	101817	66960	113370	126320	111810	113153	116685	98754	105091	109827	105637	120491	116293	116412	111899	112592	116111	119145	119034	114289	114669	117141	115978	104673	101080	99251	101265	100071	96660	106344	101907	105288	97825	97301	83738	84938	87373	85091	90435	103807	104923	113327	111524	105961	92910	101264	98919	112454	109130	112421	119891	116073	118567	119825	130584
CHOLIC ACID																																																																																																																				7329	5136	4864	3232	407986	109560	106324	2692	1232	1452	1503	3307	2641	3297	2815	311508	931484	852404	942999	658139	628138
CITRIC ACID, ISOCITRIC ACID	45371	46790	28062	23189	42223	30745	44760	45083	110270	60963	77829	64535	40537	55836	50099	327202	33503	45526	35913	31218	32386	23939	61711	97468	100097	88321	492272	767587	281594	405655	240502	208156	793691	432133	420444	203043	363010	916715	878495	194875	138311	189144	135842	232313	129159	161269	148206	166908	244968	205757	166054	122650	171965	235241	193716	221503	259459	259069	224444	204063	185956	186236	156221	340271	362642	344262	310950	352680	239708	263764	298968	258680	514334	318044	349883	404904	611208	754825	605190	830409	662432	484176	472007	419979	446967	195889	284784	184848	268040	305813	325577	322013	319433	245487	238047	197134	191939	208472	52663	188231	950111	964252	236104	51291	213176	184188	234141	145332	219677	203652	698122	3344825	3884501	6905440	2840530	871741	845552	969314	1045650	1117323	1270614	1332915	351798	222870	257819	301754	322534	179833	170060	167290	70782	74318	100989	82379	65116	81120	710049	761757	814114	683669	944536	1325790	733741	1447461	905099	1656938	779054	1474620	1260496	1454789	1255052	1525609	755367	1039045	1281984	991856	973061	1294252	976881	1109131	1179930	1163795	941303	1745695	1582793	1588148	1098014	1578622	3873964	9553966	2993819	9895628	2185918	3937759	2790598	10608995	1478477	10726648	17571228	960758	1273794	495205	1272698	822202	1577914	2161560	2059848	2797571	1879278	2754493	2729209	2551622	3446798	3786725	2583893	1875757	2047235	1964015	2493118	2856575	380739	323954	737480	358409	483506	521733	548896	556611	551582	887879	737712	973950	836694	848455	565848	453825	509195	552919	553753	646344	630201	576523	612310	868505	616124	825157	924615	837001	2780330	3863928	5446100	3573416	1886692	1078539	4185260	1923590	4837575	4099039	9376887	7463414	7710748	11429461	1723733	2463595	2511899	1695035	1404702	1737681	1785530	1724477	1481882	2726363	3652033	2383792	2365091	2161038
CITRULLINE																																																																																																																											2290	2763	2412	2274	1807	3025	1287	2605	48958	39704	47886	38929	71264	63978
CORTICOSTERONE																																																																																																																				34568	32455	42767	30294	36405	32504	45070																																																																																																																									72530	108595	136536	129454	24578	63281	38777	39887	41382	91886	93343	101025	120377	80699
CREATINE																																																																																																			10577	6582	11735	11545	6647	9987	11673	1950	2919	690	16015	20742	11406	48602	10165	34445	25783	17787	17472	20055	18118	20887	18180	16222																																															139579	130139	162509	137194	270355	293298	305339	180106	218489	159349	223310	213123	284488	321086	228426	211599																																													38256	14187	49426	31086	27142	32770	40536	55713	69769	19721	68814	60899	62111	72242	15593	12877	24373	20950	17370	29115	16187	29324	14982	22065	22959	11985	20986	15180
CREATINE PHOSPHATE																																																																																																																																																																									1818	3456	6489	3947	9510	16773	8369	4750	4131	3340	7139	6377	8283	4709	8322	7659
CREATININE																																																												102222	101507	90664	93947	131843	191643	169020	138486	186050	177016	128569	151039	162807	93410	117384	104582	115319	145429	124850	167149	152413	156782	154371	153296	159410	156337														32130	32146	26505	41168	32401	35888	35420	18309	259	1935															67052	78829	70147	74970	58218	81031	83795	89509	10149	18295	7171	9134	19936	8636																																	1057013	1394710	2219249	1945837	2702995	2835410	4144994	2410458	2727699	1993744	3024141	2756707	3424351	3624548	3882692	3737928	70156	51435	50993	56520	74771	58896	60687	77013	91305	94442	69174	56735	50586	47540	63608	34190
CYS-GLY																																																																																																													14244	15087	15366	12427	22783	10263	16774																																																																																																																		29333	30852	46503	52472	65366	70699	37620	37383	62035	45281	63483	45811	35101	53869
CYSTATHIONINE																																																												12178	10494	14267	13490	13705	12288	10874	14936	13101	10363	10750	11535	10927	12614	11534	9612	12652	10212	10976	6206	13593	12300	10726	11229	11463	9897																																																				47187	41037	40761	40435	43100	41912	39053	38466	37196	44777	43445	190594	155082	102747	149597	88402	37524	39906	37330	41376	36337	42288	34164	41465	48024	53371	38538	63419	58708	67463	71301	50269	19254	32275	38864	31808	22972	20735	43759	27579	36407	30747	25467	37850	25929	32649	27128	38274																															15175	16079	14551	14784	13939	14653	13798	16658	15740	21107	27714	33608	26507	31524	8579	10325	10371	12045	17523	26402	11837	9556	12258	6615	8809	6911	7187	6890
CYSTEIC ACID																																																																																																																																																									8016	10850	10503	8899	8339	9487	8856	9197	8216	12182	7963	11553	12205	8834	8953	13793
CYSTEINE																																																																																																																																									11024	18218	17267	17796	18098	19740	17524	21568	22367	21781	19786	19288	18927	19164	19434	15109	18731	20806	21842	19822	17744	20889	17674	21143	22540	23709	18794	18005	17438	17398	16810	18172	8891	9201	17281	11333	16573	13263	15819	12274	12699	10645	11324	13459	16317	14519	10661	17533
D15-OCTANOIC ACID	517113	740912	447457	523863	829605	421796	791090	542184	823932	784907	925252	683322	496822	822438	451444	578088	486962	863674	680987	487459	472592	406445	793325	398705	405223	441307	453300	428774	404050	467966	418140	453753	404536	487475	432087	412505	410323	425059	439070	517866	581799	613302	579554	516504	686017	639287	543818	538078	751890	733302	504549	609981	529503	824078	817858	867114	907995	742228	563273	1034122	1020452	1074409	1082006	1019173	1032448	1059939	1068649	1061873	1097804	1138727	1134726	1111001	1094620	1151096	1149555	1179390	1150744	1156074	1152481	1154818	1164470	1152790	1134114	1198557	1153713	538905	540657	555558	570806	564692	690627	752033	581316	576772	597822	553222	582639	574089	482437	489988	464520	500467	476550	467670	483555	472156	464255	474013	1711522	1678531	1687718	1690214	1721085	1517259	1736722	1712978	1656270	1642955	1685093	1699459	1679075	1700105	1615731	1552109	1579617	1489649	1506261	1496071	1522436	1550625	1138255	1516738	1494521	1438850	1528578	1520206	9214740	8943093	8742860	8754095	9306052	9470710	9247338	9456208	8536688	7836163	9683593	8371888	8756924	8628672	8177182	8290606	8914275	9206633	8438322	8807953	4674429	5295684	5169857	5682380	5378610	5549212	5985818	5297444	5593782	5303833	5127298	5711046	10690888	10290688	10360306	10375411	10546836	10479048	10445329	10463296	10031615	10356617	10088042	10216037	10246074	10189034	10009325	9975405	10964949	10676989	10918791	11131984	11490045	11389416	11255542	11240432	10831062	11103515	10900439	10884471	10691491	10826636	10733842	10456639	3639534	3553180	3560180	3622966	3396368	3470712	3337636	3637653	3422423	3378298	3380337	3453725	3420162	2871561	3661259	3677574	3584777	3703330	3482654	3622626	3671549	3653678	3512005	3710228	3717006	3623782	3644647	3524630	2145217	2209951	2071400	2194269	2192782	2136421	2566650	2437462	2489118	2276430	2343208	2331689	2292044	2313234	2161478	2189301	2285998	2180991	2261706	2227338	2441018	2310900	2145390	2191077	2286510	2122704	2507500	2352664
D19-DECANOIC ACID	490948	786619	513844	556078	880743	452879	800581	643878	897808	856098	1030795	790934	556512	885531	495355	646828	568436	946376	786520	548855	529641	481914	824595	479713	467307	522763	524049	329071	482578	350216	315922	517242	470036	366793	328616	494192	307702	496354	336054	358452	397830	385578	384076	347447	435161	422531	326301	362002	482491	396108	344990	389064	346693	513113	490593	573000	568695	468704	333693	3037196	3075653	3101882	3196230	3064952	3089231	3243122	3102285	3353341	3322805	3233581	3276890	3199814	3112568	3246332	3258717	3427732	3244366	3272382	3222957	3222886	3202762	3175882	3231180	3277464	3118390	605353	612131	639096	648261	623711	780433	822614	663252	495365	661895	564574	619252	635985	561879	562330	539407	559623	545137	544815	539590	532412	550073	548123	2028295	1999916	2013791	2010254	2066819	1836008	2068443	1617708	1607930	1624445	1751868	1900819	1885979	1884279	1532044	1589783	1519588	1467709	1366453	1358784	1379789	1426627	1256775	1614573	1586854	1492956	1570606	1596762	5065582	4645780	4358342	4280568	4436112	4701346	4503260	4736710	4297068	3614155	4999605	4135487	4515558	4447356	4244233	4054924	4637927	4780276	4453510	4146962	3865457	4491148	4249289	4307958	4564740	4556712	4635847	4333742	4301639	4552963	4085941	4499942	11661525	11432240	11674014	11593934	11665291	11719846	11600042	11906845	11095120	11346581	11413643	11756195	11407321	11441595	11305555	11620699	10524733	9990404	10510252	10476861	10795040	10830758	10659408	10586202	8710074	10625819	10568000	10405481	10452931	10635295	10513626	9867765	1549403	1426019	1604273	1600562	605400	624111	594403	651951	625926	1500214	617661	1477766	636790	509863	1845452	1676803	1727467	1876903	1446354	1588856	1635168	1703037	662401	1788025	1624725	1658599	1670230	1645166	2564382	2608285	2755930	2769266	2623250	2402948	2460185	2473050	2476976	2747649	2698054	2511704	2527660	2571446	2036860	2352362	2008698	2021444	1832346	2077481	2195029	2229544	2033650	2288447	2328963	2077540	2396304	2121706
D27-TETRADECANOIC ACID	1254925	889793	1278616	1067737	1028895	438893	217458	1259876	1520610	1618236	1489397	1384792	1716997	2256788	1687933	1841266	1849898	1129953	1815656	1827033	1666921	1440232	1483682	78629	58732	49505	69135	155582	135679	182443	243641	34409	67780	88817	247877	99982	252693	94270	133305	591657	644636	702838	634966	558471	768506	702887	659352	569610	798874	818310	570812	740182	580768	928800	971212	886425	995850	837235	657542	11942018	12078551	12018329	12051194	11870540	10796751	11765726	11331759	11825927	12174529	11768200	11954052	11265046	11603487	12364417	12483598	12601508	12051381	11868184	11998807	12169623	12158667	11307464	10942432	11682996	11443196	1827138	1776127	1894652	2037812	1907821	2348568	2319102	2091031	2011326	1957662	1878717	1883742	1943667	511030	437259	567115	412129	484614	511658	500324	400973	561461	582170	5826912	4381834	6134751	5958486	7473993	7521047	8325362	8270742	7336700	7290718	7642250	8133166	8211556	8126322	7344456	7471385	7489668	7116798	6366280	6933140	6328622	6739055	3927334	6341703	6454236	6154066	6050764	6235828																	24260298	24342106	21320624	19683634	18151594	22564812	20420836	24097122	24116510	23513426	25791540	23367382	24841598	24488400	22432070	16820068	25754626	25744152	24317208	24590258	23584560	21571808	24122020	25935786	20147598	23445844	23073094	20315394	20049084	20709106	20346200	20132554	26095498	25277460	26113352	26174820	26100076	26807686	26127460	26261470	26119540	27120674	26994122	26949982	27760974	27536280	27782408	27944544	6918772	10740570	10176780	10706390	8469610	6549024	8326095	9868658	5685826	8418019	9938512	8649952	8501979	5806038	7183854	12756104	11809611	12419825	10913852	12313660	12272393	12172044	12169917	7093152	12837729	11362698	12307905	11803420	3710008	4691021	4181016	4349686	4252671	4120302	4587448	5230244	5126562	4732734	5254714	5048664	5066839	5365249	5999878	6085962	6458211	6566090	6328326	6333464	6673700	6582682	6500726	6060229	6546990	6443800	6085942	6693340
DECANOIC ACID																																																																																																																																																																									50705	49380	51464	45022	43790	44119	49015	47059	52422	45538	46634	45459	47573	47437	21687	43888	529702	505569	458381	470272	475669	403387	461237	460239	319508	455109	464041	420948	376012	447236	412625	372120																																											112342	128813	107348	241852	102530	158567	85017	116441	107213	128048	183199	132471	106224	75370
DEHYDROASCORBIC ACID																																																																																																													3688	4469	4122	10962	63169	51097	30707
DEOXYURIDINE																								13165	9635	13268	10100	13286	14499	12857	9075	12685	3845	16680	17887	18245	18704	11342	16975																																																												12400	12071	10331	17577	12356	12996	12940	13192	14253	13227	45310	44224	44042	34368	8034	50622	38736								7201	3286	3351	4712	6763	5378	5317	5893	13485	12503	17879	14051	37285	34130																																	31300	38793	71569	47199	59449	68098	99503	73702	92397	54582	69190	107427	91476	103782	138569	135155	9831	7281	7918	5969	10578	7523	11975	9429	9396	10751	9768	6984	8846	8876	5786	9509																													20279	14928	34087	29571	82067	81273	38270	23035	40700	26771	22837	35747	31218	49915
DETHIOBIOTIN																																																																																																																											23605	8900	14017	11725	10418	10170	22092	9873	22554	26321	22721	16891	15517	9037
DIACETYL																																								35818	28044	36758	24913	40194	35674	42256	33767	29561	38774	46099	30921	22053	39003	46018	36531	35793	47658	41218	36630																											39435	50180	41081	38580	48948	58191	52209	55455	43207	39206	35837	45865	43425											294408	291758	423561	427574	991370	848324	879536	87329	84270	89829	91965	102142	92564	92789	29855	18683	27666	18501	26164	23582	21762	23054	22225	25468	24515	18202	40894	30089	105580	118841	123928	107279	122272	141012	125340	152410	137110	164356	139880	148929	158557	78827	153459	142915	133358	131907	103305	132805	136644	147819	146174	147053	168167	185005	127514	164102	153616	167041	140719	103757																																															54216	53365	32127	55315	56273	67108	57236	59013	62222	79396	63506	88635	55079	72714	636558	682478	926771	972575	789212	617242	1009924	706038	930872	1162518	1351519	1152030	1312313	1589251	96965	144312	127829	105828	119709	122619	146600	115344	117606	162014	141089	190782	150369	153887
DIHYDROOROTIC ACID																																																																																																													20017	19127	18937	14356	13636	7661	11634
ERYTHRITOL, THREITOL																																																																																																													11307	11762	10482	11310	17611	12392	11489																						8139	6897	3698	7826	7417	16238	14221	14251	11281	7939	13600	22597	13417	18805	16509	12340																	16342	32273	68951	70520	63307	45181	83864	53921	68269	41665	63718	63059	67938	108801	67000	80822																																													10152	10650	20744	20922	25100	27527	25510	16105	20676	23305	30290	20005	18814	26536
ETHANOLAMINE PHOSPHATE																																																																																																																																																																									8291	16730	26198	10763	19389	22215	24325	14480	21264	16754	22594	27388	32679	15904	26877	31423
ETHYLMALONIC ACID, GLUTARIC ACID, METHYLSUCCINIC ACID																																																																																																													13228	26001	14732	13101	36317	31213	27491																																																						79245	67553	118686	83450	153326	161109	93560	156973	170338	147056	188675	133805	176188	74906	187304	146604																																																											36581	41647	39439	54389	31450	29341	30994	32689	39555	35413	43451	38040	49949	50231
FERULIC ACID	3139	2369	468	6337	7874	12509	12272	3101	4215	3322	3947	3791	11870	22641	9545	9859	8751	12134	10628	11306	9160	9503	21018																																					20573	17431	20902	18240	11274	35863	19599	19986	14605	14180	14690	14401	16316	15520	20769	21821	17233	34549	39556	30221	32372	25312	24658	22813	22750	22907																																						8120	7464	9610	7973	7100	7447	9014	6928	7420	4829	11986	21975	7222	9831	18853	22031	23645	13875	40602	46865	46364	62258	48135	43531	50118	49079	42466	42637	21359	38756	39388	52501	35565	28414	54667	53902	58624	48327	60374	60445	57833	77706	66800	59891	59199	57003																																															13918	10356	11698	10042	14795	18124	16864	17529	13926	14199	20292	16586	17967	19480
FRUCTOSE 6-PHOSPHATE, GLUCOSE-6-PHOSPHATE																																																																																																																											2166	360	654	824	1946	168	1525	1677	7800	5262	19871	219	10988	29376																																																	74962	172316	59673	56540	53208	91654	77472	66576	62159	36578	60096	38827	35554	34455	26048	29384
FUMARIC ACID, MALEIC ACID	5533	4583	3043	10723	12695	23991	15540	5470	7161	5894	6194	6557	14304	20139	11613	16100	11753	18040	15389	12235	29572	9240	44013																	28373	20797	30516	26759	34706	9563	16454	22201	25540	38845	28381	36882	22082	23424	20133	24815	34761	24127	27950	29568																											47115	51737	46253	86326	79063	61933	49356	56864	55769	80320	58179	41002	59505											27269	29231	33650	34828	42872	59318	33686	133914	132723	128203	113011	202189	139900	106185	34622	17565	18478	19753	18033	16887	17748	17727	96399	75684	85859	75013	54320	66066	87736	80365	75876	70200	76774	88960	78649	93550	86452	96617	89601	503090	368363	318996	371064	331510	93280	103263	142772	112876	97492	143443	109259	121873	121263	116322	112714	513093	561934	318308	728274	576143	179505	183877	248368	207988	233331	230701	303387	265314	215769	193253	225685	278715	287034	249727	382030	335746	1550398	1182300	1023363	915735	1635845	1273655	1122236	962459	1254541	938701	918434	950036	597374	694688	1040026	1098355	34611	30765	31445	32993	31170	32938	35411	37089	39843	41355	43923	88629	128326	81550																													344412	319588	328071	275297	392941	450309	364708	417190	494860	527342	576391	358464	403288	322692
GALACTARIC ACID, SACCHARIC ACID	14800	15070	9984	16427	34623	15652	18904	17683	24912	21741	19234	18623	19691	36242	33010	33552	40399	24994	25242	27181	29838	18251	52785	7418	8648	9673	7737	8308	5894	4475	6217	10071	5560	9098	8371	9378	12467	7534	9303																					70228	65202	73756	62324	42536	35338	32213	47278	53391	56318	78769	44351	51731	336338	230855	243943	240618	89159	243611	29108	308997	366757	174309	188255	166883	147640														5896	9240	8262	6675	6865	10510	8068	6171	6198	6285	22404	24421	32966	29271	24619	43645	38838								231127	117733	133129	139963	59663	47591	64654	57993	2932	2390	3075	1743	944	709	198472	258478	296608	178307	168998	219364	206321	255236	307427	299015	283010	24614	27538	27758	27333	28506	404400	335253	343565	306390	289859	331428	334555	412949	359360	396310	293207	54830	41633	52127	50575	56829	99304	97695	123618	141118	159245	165118	136252	174462	155439	148826	154284	145091	141015	125433	174214	165191	122895	105767	103546	81561	102663	104983	107961	101363	93790	94492	98454	74755	82441	83796	83291	96142	65085	60015	86059	103192	99013	82315	118146	91719	94448	11187	14399	8705	10796	11926	123511	106595	98860	118810	131675	119835	126421	99613	94716	9032	16586	10961	14793	17568	38197	35666	34009	41531	50542	64702	31994	33244	37072	35323	43834	38920	44044	46566	15542	19773	15068	17816	16302	18860	19442	17774	17490	14014	18543	17175	19608	18219
GALACTITOL, MANNITOL	81786	75460	32477	34372	54644	51433	51736	65255	93666	78593	75523	76037	32210	60229	30753	35475	32363	35288	48042	29641	34344	27863	60133	12552	11226	13688	8327	8526	7416	8215	7434	8291	8235	37863	10035	18439	15403	14404	14940																					615288	477801	611028	705878	736167	794695	640399	828002	655871	444806	430389	319706	390841	500885	385379	523251	497216	647415	640149	645951	691200	611219	258188	270708	253976	266388														16797	21363	28576	20713	13268	17788	15776	17093	19718	15426	62767	64017	111040	145741	131104	122486	116894								379903	360620	387716	399265	506535	466002	462183	512855	15033	15830	15907	6092	20875	18977	1765896	1974803	1027866	1477824	7550	3820	10960	7349	11054	9001	11650	129484	92274	79564	102881	95287																	44140	82394	144653	117995	106276	111227	141499	119813	133710	93791	145817	106107	154683	156749	162800	169061																	406269	359476	381559	352458	3024	2483	2550	2974	2967	37570	33239	25416	26574	17112	366944	241985	355464	366122	2018	4117	1742	2051	1290	12657	21508	25110	24435	23206	44926	28428	44151	71729	49200	56414	43849	30059	41286	50589	56766	49572	39653	31635
GALLIC ACID																																																																																																																																																									1874	8050	9689	11450	7173	11827	10781	7595	41885	42392	16321	6911	8907	4936	6373	4195
GLUCONIC ACID	212603	187368	88737	140838	134150	132851	145219	153519	217267	187854	191433	198687	119694	182136	101556	112407	105628	110123	101943	90276	94512	74678	124164	96176	88288	85884	117581	101277	124753	108411	113665	171204	36984	109511	99207	103459	135678	88929	118927	3881	5435	3753	2379	4236	9586	4170	3141	4591	2210	3957	5443	1745	4027	3274	3141	3100	3098	3707	4563	1518010	1248064	1467872	1470209	1216528	1419953	1371204	1526086	1326124	1427290	1662414	1176570	1258564	1667590	1465767	1503641	1643207	1768060	1951303	1851411	2111048	2134694	1714088	1888992	1664267	1705236	5824	5453	5681	4581	7104	8790	6402	10093	10631	8212	7485	7624	6396	89604	114207	98945	191828	140138	138408	195037	102242	112903	101374	280386	281226	318565	312642	596418	568036	543796	9001	8522	8538	10289	14862	12476	12586	894262	736672	737759	876590	1029411	1042856	921901	1044729	23905	18038	29147	31053	16809	26951	4916238	4344390	3882446	4780872	4346826	4265557	4274220	4059534	3968254	4775072	3931450	2205709	1796232	1885956	1910807	1501079	3830061	4360006	3719977	4383406	3841139	4486386	3756208	4162280	5120866	5218188	3691060	1573874	1492659	1688318	1578792	1375017	830305	994814	1953485	1306546	1303582	1293476	1716186	1210753	2108303	1520020	1716635	2212628	2925502	2992280	2934119	2609500																	1352734	1256916	1451238	1459847	1460428	1576550	1519925	1390448	1493836	1106973	849612	746550	809306	624155	1433063	1190308	1630190	1406206	1349624	1284061	1479968	1635545	1310539	582349	702571	718299	679006	680037	491658	455021	630067	695829	1026648	1268423	603588	568431	738184	790113	745074	694776	646571	659219	57735	71658	65978	82339	76014	63566	67576	67316	87422	55400	70858	66175	74846	77894
GLUCOSAMINE																																																																																																																																																									21098	24805	25784	31416	16629	30580	35037	33425	29959	29715	19319	36294	34122	32155	33735	19439
GLUCOSAMINE 6-PHOSPHATE																																																																																																													1311	1476	2325	8107	1111	922	1137																																																						10668	12871	22050	16998	16731	24406	38371	16480	21222	21438	22315	17496	29044	30633	24636	27715																																													4697	4235	5085	4709	8776	10510	5727	6157	5313	6851	4973	4887	5427	5059
GLUCOSAMINE 6-SULFATE																																																																																																																																																																									674	2012	353	5268	2174	21856	9337	4326	8108	5320	2981	7543	8394	2256	12972	14377
GLUCOSE-1,2,3,4,5,6,6-D7																																																												16171	14457	21409	16252	16984	22447	21526	19800	20554	20868	22458	20952	22983	16205	15637	22301	17192	29787	26168	28832	25231	24158	27564	23065	29853	24253																																						4918	6079	7111	4762	4264	3535	4385	4065	6222	6171	6035	4395	6717	5262	27796	23681	21912	17128	24355	23039	11079	6359	16654	14925	7669	30263	36073	23111	29223	39503																	41378	28236	39006	44747	51526	44987	24120	40446	59083	45047	45338	18057	40266	37930	38832	32898																	4788	4362	10223	6420	4851	5150	7163	7594	6031	9562	18461	11653	13260	6865	8638	7304	6349	7705	6099	4500	5086	5982	6087	9171	12849	15595	13671	13463
GLUCURONIC ACID	30865	24955	16270	8418	14897	8406	10875	26152	32060	28740	31763	29415	11040	16490	10669	12825	10641	11262	9611	9524	7996	7123	11698	18955	15206	15886	24456	20802	26710	20227	17418	43364	8814	30378	25544	20267	30077	23824	21302																					314127	262716	261117	290982	63809	65267	54984	67571	76786	211465	210191	177586	194027	259383	244125	241617	268066	72254	73070	60449	82695	92704	185762	207467	190392	186283														21435	25595	24797	25012	25114	19706	24820	18808	22116	16816	67611	66637	79869	80199	71428	49076	51489								134673	125317	111125	128031	153373	155182	124986	147754	35326	47504	69491	60834	51143	79443	744950	609123	540470	646519	616943	668538	571394	585051	527271	697311	603261	110273	106784	122894	123519	102744	606201	612568	532954	574460	500718	600628	589099	568923	728560	706518	488952	146162	150060	159769	130492	156420	155687	234251	417790	278348	260610	306400	384127	290476	559186	280739	303688	377762	486951	473650	483914	413362																	217534	240254	220265	219661	157629	173544	190157	202959	195740	53901	55316	41760	44679	33365	201613	207098	204608	209905	160834	147669	184980	210785	171220	36651	44054	44918	41443	39948	72873	72840	86434	94731	191562	212508	101721	102066	98762	110951	74671	83486	71077	86898
GLUTAMIC ACID	71588	69522	34718	152650	168041	216158	268601	52409	81797	65367	74293	78128	116528	151645	131517	142107	136470	149920	144766	134260	183956	104925	200739	7781	9798	33251	62963	69038	61455	69023	38912	44654	27960	16848	18704	25329	15817	25111	42408	6247	9033	8421	10440	9551	7603	5400	10665	7741	6154	6153	9925	7028	8288	10448	9000	8065	4474	10643	8957	360732	308912	356552	380186	558103	664111	714620	582078	414754	789019	647913	553553	772156	590819	279358	353375	438200	641888	624028	698068	728146	687865	776423	902033	806583	717454	9101	8801	8132	11717	8612	9613	8624	11707	8594	11909	10771	6325	9697																									393240	156768	180370	226734	213175	199839	199571	204932	698821	792997	794532	439478	1255098	1005612	1868943	2511457	1518428	2331936	1822703	1748114	1568431	1687422	1933408	3145679	1580958	368329	285024	297012	274989	503985	1536695	2757935	2207742	2789137	1464313	2716627	1944194	2706823	3190323	3295348	2064586	841331	829742	587790	863275	776311	137783	102114	215101	104280	207116	218528	345218	115680	202592	207406	191106	227595	224819	422875	221808	171417																	987608	786993	767921	741857	1253873	946561	887006	922742	1053203	90787	125275	104420	80030	102858	1246442	886160	1256606	1070543	1041505	1351456	1300821	1627395	1455187	91092	223583	151608	224942	351988															63414	43923	41889	39011	55501	60882	40100	47263	53184	45203	50379	36989	40066	41061
GLUTAMINE	27945	26611	15940	22286	22585	22722	25609	23516	33836	25624	31889	34820	16917	20562	15026	18797	12828	20517	16514	16450	19218	12475	24167																																					90946	72968	101016	173826	58513	96140	103444	79255	47875	104231	72250	62525	128438	184766	55483	141836	191128	89563	134383	99629	92983	93548	82036	119673	106595	105095																																						160509	91503	87933	135337	73141	117425	80085	123540	65847	75047	71315	72897	56021	52587	589930	456050	245656	473260	438685	424541	478070	195462	353632	609089	504807	267018	226563	201200	217676	222684	886537	1631948	1377976	636554	853180	1326220	1243179	723710	1887660	1778508	1397963	322528	324881	143330	234494	361070	41384	39208	60144	71547	75396	73698	68752	54187	78372	102821	91604	167518	82626	84131	71277	144657																																																											45451	47296	34096	56423	74150	71586	58398	76913	47895	77674	60312	71594	46538	58029
GLYCERIC ACID	7813	5866	3926	6341	9319	10186	7002	8090	10822	7618	10144	9314	10758	15345	8097	19548	9420	10804	9908	8451	8473	7101	15473																																					25389	16881	19805	24641	24416	40561	38983	30763	34517	17612	18911	18426	22820	49616	33002	37666	41711	68831	75644	65140	65901	69145	21144	26003	24354	21029																																						24424	16551	17066	19854	16349	16403	14519	14512	37499	44521	49519	55640	48037	27069	75574	56535	57700	42703	53491	66084	41184	61730	85728	67779	40407	64007	69312	51517	45489	58534	84915	73573	100341	77954	36975	52282	48802	50573	41957	41775	44036	80156	86680	68946	78884	67383																																	16704	19491	27499	27077	38695	33243	23646	31658	30308	36415	33741	30166	22365	22912	40674	31751	38557	30136	21353	14952	24683	22855	19050	21492	32079	28886	35305	34189															13399	12432	11293	13759	12750	14930	15996	13229	14500	10108	14854	13540	13994	14841
GLYCEROL 2-PHOSPHATE																								11714	9404	11569	11570	13129	13795	9201	9552	16168	3320	12674	14564	9001	15451	10016	7979	6795	4170	4321	5726	5336	4800	4465	6439	4844	5690	6118	6387	3543	4857	4577	5329	9830	4614	5220	5947																											11733	11988	10064	10803	8936	9330	8160	8731	8915	10328	12786	6399	8010	14807	16819	13995	9531	10087	15481	15683	13911	19792	16525	52920	52268	57557	47961	17110	12284	16971								15922	17159	17588	15795	17287	18412	16389	16971	11348	10397	19487	3830	22198	94328																																	99575	102648	258955	127774	160641	198379	307745	223505	299772	213082	276138	217317	268733	264342	365093	189790	280963	253100	278605	220235	271419	263965	255740	242467	179613	199951	227443	175863	165964	120677	116916	115455																													42463	32829	52122	54018	152387	147350	75959	66842	89872	61356	55216	51730	49662	45080	54025	49463	45307	52545	69617	62526	52904	55944	64991	52945	60942	44109	52131	48528
GLYCOCHENODEOXYCHOLIC ACID																																																																																																																											390	311	0	1224	183	984	278	167	13647	19395	20661	21110	25815	23532
GUANIDINEACETIC ACID																																																																																																																																																																									45890	47958	172360	73113	120262	141550	202700	83673	139929	127219	159630	147752	181625	199282	163725	170390
GUANOSINE	32001	22230	7680	3234	6112	9254	6079	17729	24523	19091	15945	17891	8827	9125	6966	7340	5445	11117	7461	8981	6469	6916	11980																																					299101	153486	252604	254803	16541	18983	15595	20199	22439	7552	6863	14379	9410	289539	178123	205818	228466	48611	75447	34969	27291	34310	13921	24550	15197	22782																															6939	5910	5631	4562	26921	16093	10862	55974	30306	38272	42108	60682	45839	54831	56942	6549	18315	10150	2254	7049	7079	434568	599567	304669	561507	416417	382619	531504	633392	562576	528943	366962	26995	12202	17859	22090	24359	621680	781095	446588	614388	401481	440220	514592	438523	507605	555314	410344	89909	83223	63633	84680	106492																	335	1183	1391	750	503	1549	498	712	2918	1166	1339	6828	376	25950	2141	872	265066	247384	209578	207527	220964	221142	233779	304280	376481	9192	9403	8101	8712	7355	172890	183311	185397	203654	185049	164106	179224	224859	194897	11144	13991	9792	14604	15851
GULONIC ACID GAMMA-LACTONE	210	277	0	71503	91522	82403	89528	848	462	195	59	120	46395	58911	51994	58037	60790	59646	61224	42747	52681	33741	59386	7251	6830	9131	12508	9721	18750	12959	11549	6018	9539	32489	15693	33652	26358	33001	35329																					2064	1908	1631	1994	648497	656159	468683	671364	670363	2284	2436	2130	2136	1621	4995	1725	2149	316775	274544	345562	319423	297460	1944	2100	1872	1492														7251	7625	5736	71592	43385	37436	37805	2555	3516	2367															1095	900	1068	1127	1045	745	655	768	33897	5580	32681	376234	11098	15023
HEPTANOIC ACID																																																																																																																				16433	15325	13922	11836	35518	35706	24637
HEXANOYLGLYCINE																								527971	301105	415086	387886	579560	236192	380700	157512	747029	143355	643205	649520	605008	811230	335222	384079	14466	14249	18057	14878	22898	3328	28311	15215	30743	21265	22560	8936	7074	18735	13768	23207	26142	35799	16760	34464																											27381	17041	36257	17397	18052	9909	22034	17030	15394	8534	11663	13855	8797	705617	802145	1549796	938751	425901	545712	915639	442244	715536	670082	1636404	1667669	1790877	3529070	899030	727622	793679	23471	26631	22409	35156	31129	11455	12147																																															1817923	2937143	7826461	4269226	3721584	5015439	8310139	5822186	9054763	4144352	6485771	3858776	5399047	6528648	10709941	9210107	172864	216888	149671	181263	203615	177066	248076	235961	331384	260704	179966	132088	139554	154082	167581	174917																													1532445	1258498	2174294	5162173	10175458	10716822	3937225	2302464	4962231	4400150	3915042	3889958	3569391	2910722	99767	133329	125156	140822	189234	151718	123746	141445	153829	124679	102102	124480	106321	131119
HIPPURIC ACID																								172655	163733	252956	4343225	3455244	3996440	4150265	3075672	3408904	80115	304852	317712	312785	286384	196981	295016	9254	89346	130840	2804	6233	56294	136971	4073	13643	3916	6581	5012	1103	8660	97106	3256	8956	129869	115174	3355	1947	1142	1694	1406	724	541	3275	985	1873	12561	20744	19870	18202	4345	611	725	994	878	2123	2876	2377	2540	17332	17303	20492	50224	7053	3768	7961	8613	3770	10938	5598	9891	2098	142650	143821	184779	139092	210561	178425	141399	259044	191963	191527	175819	3495022	3406062	2853809	571212	587724	471570	385607	8768929	7506242	7966102	14830	15361	13942	17558	180930	97899	117132																																															1049136	914177	1240088	1023733	2087444	2146016	2613798	1686564	1638748	1231693	1919416	1128664	1755986	1416255	1467282	1226341	154666	62205	105339	77195	47166	42861	46700	73930	75430	97002	94766	24241	23927	34282	30423	31279
HISTIDINE	6160	6947	3134	9154	15779	13593	21081	3718	9927	7846	7170	8124	5338	10524	6174	11811	5216	13629	8810	5068	7940	5909	13381																																					22624	36443	28877	26131	18316	40902	32569	22891	17167	22466	21625	20291	24393	83050	41586	43146	58804	50741	57227	49119	43020	36515	27880	37746	26767	34464																								3539	3951	3061	9107	12049	14820	9561	26246	26349	24050	24988	27982	23064	26301	41310	19354	20899	33805	15673	21031	16439	21616	28765	18367	22561	50858	23990	23509	116637	248064	166173	157889	188209	237284	195853	215246	330642	445667	212288	299062	362436	380624	323793	324792	162973	259132	356983	255270	169670	221940	266826	462339	389023	252183	277400	284197	277564	161400	260342	240343	31780	48848	59152	54129	74650	60774	101564	67277	75889	64298	65308	74464	70121	93200	88723	87915																	80792	66274	57959	76688	134731	116161	116573	92885	119092	61937	81806	63097	84980	97304	117468	84982	124681	134111	131572	171736	152327	162889	161614	106543	178782	119008	172176	173916	21266	22390	33338	30962	24852	43917	23570	26266	16864	17572	13835	28592	25823	26019	24077	10718	26274	23600	25267	24446	25294	23651	22483	35752	35257	23288	27156	23804
HOMOCYSTEINE																																																																																																																																																									10998	14220	19812	15130	10908	15104	12765	12823	11626	13431	12927	61616	62364	28779	90290	71117	9934	14714	15414	6628	17041	33084	14877	20803	21500	20677	25624	16061	19992	21104	21134	19042																																													10240	7294	20112	12951	13763	12033	9650	9440	13841	11757	12755	10170	10796	9893
HOMOVANILLIC ACID SULFATE	1316	2007	884	7404	5294	3411	7872	1211	2449	1580	3859	1938	7583	15639	3471	3678	2988	4271	4568	1957	1982	2523	4355	63748	53647	67730	21364	3264	3877	36182	20378	26152	18595	60463	53742	64381	66869	44804	60672																					23208	21842	16403	21149	19075	37772	13073	8246	25801	2864	4448	7602	3519	20566	19707	14033	19006	19106	26374	26713	23740	37098	7934	6628	3779	6112														20045	29596	21648	43623	33936	32851	32502	467	672	315																													49234	46705	47693	42073	81472	73481	51857	71126	43525	85764	64721	107672	115755	205301	148411	75078	43713	46793	37186	35341	60867	77192	55007	44214	86411	85190	54056	65685	92081	146036	113337	71309	274425	398278	544208	517448	543472	562670	398524	510479	702786	460594	575926	828762	628926	947329	804604	923773	10679	13566	9464	10080	17270	10202	10901	9418	13157	15181	11651	8656	8811	10041	9797	15947	11916	12591	15348	17125	9466	15684	20018	23102	14760	68176	55785	55777	43146	44925	11294	14321	15423	14274	15147	10337	17919	23480	15315	45203	48971	33725	42167	35020	176616	146580	276664	253217	272046	331327	212977	224338	286642	209417	148631	206511	179165	188192
HYDROXYPHENYLLACTIC ACID	0	109	0	23229	16294	7072	7022	0	122	0	113	0	18241	20001	18470	21275	20262	5200	5038	4600	6481	3615	9709	25506	42737	59388	161982	146122	80718	75186	50318	177464	72437	451557	360345	371390	423961	304504	346909	21497	23980	20344	26854	23795	15417	26156	21705	30798	26402	27600	24143	21121	18694	18260	20070	45159	23775	30643	25936	2113	997	984	1864	21247	25482	18851	22512	22838	129760	82497	90753	127023	1449	552	1407	1068	23131	18110	11306	24332	18496	11021	19317	7814	9659																															98497	80161	84528	65884	85602	36091	79667																																																																																																											142342	48492	55063	198888	775894	524732	217865	169894	318731	40366	105256	70434	72955	135615
INDOLE																																																																																																																											120	0	0	0	0	0	0	0	28167	4815	5619	10919	5314	4756
INDOLE-2,4,5,6,7-D5-3-ACETIC ACID	24787	36910	31581	29457	30667	16251	37562	24082	32351	33697	41505	32153	25610	32204	26038	29838	29241	38728	37479	29670	27386	25423	29297	19728	21355	23408	2189	4630	7799	17069	12427	22262	15478	32128	13830	16539	21672	23756	25696	46174	52973	53112	53756	46281	58441	57183	50288	47031	66942	64781	45808	52240	47975	70549	72253	75713	76658	64347	48818	396970	405705	412379	409743	386809	352725	368620	384596	379335	170690	253658	186068	88593	396279	438930	425077	423425	390319	393688	405903	413424	399369	412148	387670	413322	398234	52334	53507	53769	56456	52792	64870	71782	55692	55408	55647	53287	54343	53893	35817	16827	21060	10556	13992	21015	19429	28465	24236	29492	139651	136431	147261	146689	157081	122609	159577	160545	162318	159071	152751	159924	156350	159360	126592	138746	132497	126800	131087	129033	133548	127952	95179	124338	118957	55821	124543	116884	765466	757179	729225	733422	778972	800162	765391	764995	727859	640597	782441	696566	717009	659192	678364	722207	717624	724341	672464	696653	645202	695104	659428	700208	693361	694095	735409	662868	691368	706420	642071	734254	762674	756331	761129	767258	793553	846574	742399	850015	739009	812390	713712	753876	727550	688722	697258	730229	798848	784521	777723	774320	805564	806234	812462	800282	918875	882183	770960	834728	839014	838784	822147	826991	260850	258556	279648	264765	253370	266201	259096	268859	251871	226681	251822	263416	257679	225878	277113	289088	268717	265658	268005	275026	270571	257297	268576	284990	276406	263913	269264	260245	339540	362632	341579	325634	97887	165583	341391	308899	299684	303440	316120	322808	331455	324224	380674	355335	357474	376560	372446	363552	364581	357165	354510	263655	352797	355757	362116	349290
INDOLELACTIC ACID	129	0	0	14141	14295	7853	5650	451	327	488	656	934	11936	25299	15706	18714	16549	6605	5878	6826	7052	3951	10282	8935	15514	26719	27282	30844	25257	20311	16300	35504	20561	60392	61970	70360	80417	48206	68188	36810	21239	23162	32883	32549	12588	16605	31378	41969	37448	36162	30154	39299	34832	24373	35018	41094	29041	29326	35231	242	483	1287	1264	28571	38389	31451	34125	24758	38224	38442	31303	42369	551	305	245	0	41320	51773	53807	58828	52165	9198	10754	6726	8531	54781	49996	52541	68481	47476	64232	57098	68651	43070	27510	34746	28091	24310	39226	47525	59191	68680	44812	42797	59435	16479	17205	14538	81623	81078	98056	118726	40832	40907	27812																						2045	285	0	516	2416	0	0	1725	692	1841	780	344618	224259	259190	254848	211232	609	1975	498	0	457	2917	1802	0	0	686	418	365695	307798	279109	311372	303685	194205	233159	204724	152099	451958	516817	881954	675814	627590	719146	946154	569637	784782	870070	778228	696684	386518	375607	285242	321469	465826	437484	588038	648782	456364	684630	451651	210659	221808	236297	334750	312684	342	541	423	188	980	2138	0	423	1050	85119	128655	99104	125866	114721	221	180	771	292	0	528	681	360	0	116905	146735	160833	145167	150923	117034	78801	164683	185833	290113	291296	166632	122055	204910	168421	186423	169793	154658	188718	231767	282736	300121	244877	153907	194503	204217	192998	212808	237615	249342	225529	242481	248637
INDOLEPROPIONIC ACID																																								0	78472	114454	0	0	23764	64059	0	0	0	0	0	0	0	115110	0	0	121577	110762	0	214	457	155	0	347	277	33	413	417	233650	296550	172482	261181	812	301	0	555	26	653	593	764	364	387517	380829	404190	323989	0	0	0	0	0	0	0	0	0	490945	441936	503803	495640																		0	0	0	0	26747	4382	19130	0	171	173	115	138	367	137	121	7077	9202	11862	6470	11286	8556
INDOLEPYRUVIC ACID																																																																																																			4216	1514	3233	1220	341	1713	3524	2610	2978	1488	11052	11902	7079	10051	33433	52058	21545																																																						48658	78125	132314	93772	163333	170449	280878	163496	173568	184436	270884	163640	208070	249291	174345	236109	123405	198285	208867	187505	260286	183857	206207	151225	110326	181791	172701	119463	134195	178930	181437	195001																													35283	35656	85485	75051	103485	140239	93292	37360	67120	48429	66235	73712	60852	76813	47632	43641	60772	49089	70557	57583	40754	38212	105285	73834	41020	39167	33787	47069
INDOXYL SULFATE																								1591	1276	2005	1351971	1001121	1159326	1379619	854115	864872	256712	1067631	1069046	1102928	1137718	1227616	1150104	91733	62144	94985	0	107896	24710	56202	62454	96833	0	0	81568	56609	74771	81194	0	0	67904	91664	64846																											0	0	0	0	23012	19306	28933	34077	24232	0	0	0	0	998	927	313	375866	224004	288038	285092	925	1335	589	14946	14511	14418	9351	9240727	7732696	5628917	2171	1581	1530	1191	2017778	18112	1112825
INOSINE	15027	11116	4566	9892	10920	24907	17608	8430	11006	8964	7769	9004	9364	10992	6792	8029	6183	14571	9811	7205	8275	7145	17281																	0	6064	16727	7253	20069	1487	6049	0	0	0	386	9301	0	8320	8079	14837	2355	8092	7435	0	235911	139481	193921	175280	130374	103487	74873	103936	87424	55818	49682	60539	78711	340354	113552	156364	155207	187949	246032	152591	140802	154164	75896	133779	110243	104866	0	0	9591	340	4193	0	14117	15427	412	21480	19525	18057	23918																		42770	39028	35709	19421	427284	187347	297931	299557	86124	118383	114858	195093	130676	171348	153340	68675	221281	141654	9950	262170	251976	249303	237230	176386	256628	244884	243643	270710	328558	364362	382059	248987	110215	38810	85549	93229	106215	289413	429045	487018	391492	343227	511269	452389	430661	451112	482652	381926	245804	199468	160058	188719	160510																	4178	5239	6636	2693	11626	5688	6097	8060	4945	5617	11202	41443	5567	133715	5248	10539	89378	109673	105567	104490	116437	118071	105463	115790	165787	49416	29435	31015	31474	27982	116764	112220	94803	110216	177087	100324	124091	185146	136873	25819	44345	51847	38777	50207
ISETHIONIC ACID	4842	3615	3782	13762	7783	4548	4419	3736	4406	4185	6389	6144	16682	19360	8199	9780	7848	8113	7093	4480	4349	5459	3624	81274	64452	73378	62831	49078	67183	77576	38255	49664	31148	65806	43797	66495	66679	40729	61993																					34734	39490	33704	40997	27602	43534	84029	33390	55599	65515	42046	33835	41243	40101	38023	35921	39618	41002	56190	80633	56927	114569	41056	59163	41359	36466														84858	108179	120213	159470	122053	106800	129198	88195	113417	90431	186364	189087	230615	263142	62218	34419	70890								15465	16782	12342	17042	10008	17008	9605	12275	1224	513	1687	1363	945	2372	57351	69869	71395	25632	108059	144288	103679	148790	81752	153560	137605	83816	89081	168823	120792	63282	91710	75391	76300	58976	104778	165901	104359	98189	193949	216274	118094	89626	121190	180629	125593	79294	655021	858288	1175163	918243	1010922	984251	1114810	842717	1463330	994752	1031634	851209	1390861	1720053	1534940	1533053																	10181	9994	27358	22683	12776	14501	24319	26800	22357	25312	87558	55715	57501	43510	31951	23635	30626	33718	17808	18499	27604	29986	22434	47702	53013	58871	50929	59043	245744	245547	323672	381221	588056	525375	321934	324557	383110	551947	404052	349007	340619	356732
ISOVALERYLGLYCINE																								985546	656914	1609687	753603	703813	661141	473680	373700	771159	539307	2182334	2545883	2591684	2034296	1388105	1655034	50183	16716	17822	25434	45508	7274	18203	30032	68310	21234	26967	24430	16050	38145	17281	21073	26472	23423	15783	41571																																								2466551	2833846	3293778	2266724	1620078	1632040	1934400	967919	1183392	755171	6152504	6193185	6694302	7589918	4431626	4258102	1562583	111032	88873	62319	69554	95302	56086	65248																																															4349064	6706054	11944976	6003138	10139891	10873359	14421024	10544973	11032912	6592006	10902263	8893728	10187963	10469232	12937638	13354360	360164	313128	247431	219769	265985	279738	292073	410888	325405	392435	294424	227490	178762	228535	224570	275882																													5849347	2985892	6031680	9956868	15915322	14234111	3736827	5322644	7634259	5148506	4035389	4334224	5213561	4157726	69641	62481	75879	82042	71906	132148	64520	102005	96623	64971	72846	54444	69575	122445
KYNURENIC ACID																								52999	39744	47213	44281	23650	30662	36304	25246	36832	17749	36250	38558	36898	38342	28590	32629																																															5004	4989	7399	7171	2403	9134	7235	15203	4626	2361	2011	5321	2043	65434	71384	73012	51976	45900	45809	52993	36336	60500	43922	410540	397110	451411	492102	130362	154351	164737	39938	32518	32088	31975	12248	16300	14199																																															311984	375521	801701	472723	823890	564279	1023897	612778	807657	516078	703432	365729	481946	507924	534008	459996	70089	67871	92761	67852	31097	33816	44396	67541	86960	165548	75874	23251	28015	68834	84530	117282																																											27986	48173	44987	47389	19408	29130	31738	31042	35117	19250	30381	13960	22260	27399
LACTIC ACID	50270	36888	43296	48621	42139	53660	47711	29172	31575	24396	33102	32127	50025	48952	39469	30664	20743	92006	48853	61776	22667	58494	303343																	974108	854482	1183677	1054028	1105383	789959	1079326	1113608	1175391	566049	1213848	1100680	1055038	792408	449639	555700	588944	394200	1006909	1150711	42714	36359	132418	43029	50258	35916	33771	47640	38502	109585	115725	197365	67503	111976	54474	127211	50378	79702	157830	118908	74730	121714	203171	215979	208808	310552	675204	847788	705772	1159363	1047370	738114	737688	662365	790597	916607	674630	617247	710632																		2987679	2412985	2549207	2182506	1605386	2039097	1867307	123566	87626	73773	41507	79812	90528	57725	78641	289116	252032	275201	1802335	268035	453003	440453	267541	222923	309143	304170	412192	321095	254537	264238	425479	565248	306412	408314	90291	381206	570570	231034	324217	558067	430553	328596	822389	429877	562988	689777	828637	411270	397116	379194	482776	428450	336623																																															287816	204006	346245	152438	126759	170880	187362	203816	171848	121895	194502	195823	231021	199673	51130	57895	80766	89456	79052	89552	72465	84702	93784	69797	81183	71238	121636	72737	3443354	2718630	1822192	6443196	6270568	7425614	2954959	8114039	6468566	6746195	8115452	3218164	6405669	7752454
LAUROYLCARNITINE	0	0	0	28409	22137	47352	38162	0	0	0	120	0	15733	27755	11417	11696	10588	15853	23449	22496	27054	17679	30876																																					4058	506	1730	2245	33623	253997	207163	172425	55975	759	193	535	6304	8416	7031	1322	5492	563645	550559	576668	425079	386304	123	1011	318	2556																																						823	70	392	278	270	138	312	514	17738	23656	22955	57079	34564	75024
LEUCINE-5,5,5-D3	21540	40587	33088	22404	32058	23311	36431	28402	29077	38082	34685	34319	22056	28795	28571	24077	31071	33210	36941	30729	25126	27808	10170	40972	41443	45423	50682	46657	44840	51993	48740	49301	43293	51914	45686	45040	43436	43291	46791	44722	53886	52966	49370	48500	63086	55743	49548	47631	61669	62375	45710	55259	46439	67771	65474	69498	69842	61738	50527	323036	330581	325940	337187	359164	363784	356652	349029	387484	149782	320427	341381	179352	304964	344050	316832	340730	356890	330824	342391	347966	342338	158427	211242	311905	317386	44712	44141	48638	45953	47113	56917	63002	48060	40528	46736	38934	47551	48928	46118	46908	43387	46078	45007	44312	45949	31368	17745	30302	205827	190529	209743	195588	223572	147574	195034	222731	226940	219651	223849	218964	220306	223923	151845	169090	157846	149019	154135	153972	155712	161614	131178	156175	165520	165889	140404	150560	437997	559250	419904	379843	598378	456175	572518	442428	404280	512652	597304	567807	575053	272118	527691	549605	558413	582673	548861	560732	331150	565503	535755	550176	569891	381444	604092	541280	572142	568691	514215	595813	607150	596247	545394	554031	565202	558785	585229	542717	547632	579719	503134	551096	539701	517244	555764	520166	695767	640465	625410	643386	624236	639912	639373	648598	619187	615936	619741	618214	599072	600180	610708	559381	296345	291259	234531	295290	280146	300014	277365	292105	144987	267500	291806	292343	223528	188850	243921	304149	292693	258437	204660	233087	100187	205277	168335	210988	203010	201289	265047	251892	297799	237646	250337	281298	224690	195363	257219	218569	147981	267979	273955	418136	437414	220115	419254	239637	241635	329561	385456	381829	212080	160006	199390	388470	220134	387518	337257	341537
LEUCINE, NORLEUCINE	215559	118243	79029	193349	261433	283294	220894	116694	173385	130897	146308	172018	169284	311882	204119	168825	134021	213149	200385	216582	262723	132254	107981																	511039	501836	354969	472448	430202	289452	351972	427419	461359	503629	582654	419728	384082	460887	460471	576787	609968	509420	411897	456056	747822	1020863	770953	701140	141661	451938	610405	258975	228722	285317	343507	245387	301875	3476202	1073504	1456370	1886265	1653733	3000145	1557703	1795036	1966719	673410	2207312	1012266	1722008	440025	388602	361342	520122	380718	522823	485812	491754	422789	393485	381947	402159	427723																		2488340	2231270	2146124	1741656	2094640	2249118	2246027	3863976	925352	1127431	1731073	925848	1066515	1136180	1022760	1415635	2618862	2092204	2159360	1361978	625399																	6092466	10638751	9183285	8936351	4535004	11236454	9992764	15674092	13758948	14668371	8932468	11751534	9657139	5534160	9103140	9329553																	5730596	5926994	5173630	5237715	4298220	4078089	4968562	4801304	4504466	5490892	5143156	3449276	4039028	3705012	4049995	3157753
LEVULINIC ACID																																																												3171	1766	3248	3051	38178	36027	31437	34253	31424	3177	4403	4514	2824	1794	2432	2043	864	16631	23118	15433	17911	26297	5145	4950	2778	1116																																																																																				35711	72651	91912	103747	115782	101918	132534	112833	76243	82949	134036	75323	141510	115671	29743	97280
LINOLEIC ACID	14035070	2991948	9957717	4311659	3131816	5138312	229852	35322424	11958207	11258123	9338026	12146004	24547362	26163976	30767580	30462234	23538076	60097052	23874734	28658502	16053180	26569900	9427560	14555	16612	19113	5677	14413	10149	5273	6046	17102	19968	9509	5901	15294	10201	19378	7643	4374012	2531556	7494878	8150058	5697368	1175198	4631051	6020732	5968252	11440298	6845736	4483809	5667596	4594745	4927810	8162996	9110615	8438652	3941501	5289136	24843380	22883272	49982304	25037674	8656213	69161936	34218104	44167432	11713065	44716528	69188552	55952192	74499464	75553888	45743464	60740296	50102312	87771712	90957224	82097824	86562600	77295208	79163928	99773152	76433520	75276824	38878100	34726292	31538758	30739602	33043720	24267290	31292260	21643806	19943152	28353036	31295598	26030608	26111784	3789	1874	4049	2822	3483	5241	1402	1653	3124	3797	15184	12320	15803	27145	13466	25043	24997	53051612	53564740	52030740	47691556	22342816	23594678	22929128	40926924	28134476	34930584	25947650	28043828	28688044	39005140	31381816	11879558	32049210	26413804	30698442	30652162	12883169	60431408	78593680	85965704	32855462	89648368	33278558	97203344	27784200	101148848	72754736	21488890	76778832	75162712	74803344	53021636	74594472																																																	86349976	95512040	134892592	127506872	114402800	124690080	128020792	141350272	152552416	68946928	146978144	130136784	105338976	102205752	109041136	78629296	90053000	93311088	123390272	118984688	117094328	99555744	96207088	55839544	137370960	134765936	129466024	123959656															51973188	61261512	53132264	59569016	66090408	45768840	54875396	120743648	51570440	49407120	49941156	48131608	51961208	54643116
LYSINE																																																																																																			1816	2438	1835	4194	2432	3282	4213	283	1094	225																													198579	311696	139746	258304	259670	237842	295423	147924	311468	411657	316008	364727	382211	143599	396282	230494	227505	516261	341560	447312	301620	341231	424054	450949	371709	201605	375079	206997	139151	101933	187037	294422
M-HYDROXYHIPPURIC ACID																								11031	8405	14046	7635	11249	16391	14344	9413	11704	2714	10014	7799	9986	11578	5749	8571
MALEAMIC ACID																																																												23224	21411	21348	30625	15606	15833	13473	15603	13372	22397	22397	23996	26835	32533	16738	24495	28699	24075	27296	11219	22091	24558	27288	29275	26291	25434																																																				52853	107890	88630	90316	101315	107164	98026	92829	108654	122808	98037	41029	33786	32858	33312	30422	90738	109974	108144	128499	78474	121416	112751	147972	150164	162154	104208	54519	44267	35915	41858	51244																																	60444	46408	60055	58232	59961	57999	57990	50794	63958	27670	17652	20411	21308	16486	82127	53611	85385	78675	51692	63471	60000	67709	63145	17192	19128	19697	26929	34172
MALIC ACID	10063	8672	5731	29879	33783	93292	49065	10054	13539	11933	15111	12060	48949	64423	35832	60018	37837	66140	55033	45436	132193	27990	174978	2614	2848	3815	13211	19397	13652	13187	12327	7672	26207	39855	38928	54567	25858	15252	26623	149781	107579	162181	142219	186361	49110	87924	122651	142771	213782	146012	199909	122359	123873	105907	134764	181424	128914	152404	160069	36215	27212	37034	29513	150270	154098	326570	282912	138798	37762	35328	83475	78747	121999	40632	48150	39646	330194	364327	226564	187911	221546	56543	79075	66680	76024	277408	316431	262938	521335	457775	358468	279729	344034	326647	500674	359676	234693	353784	3773	9230	4556	23924	12106	21729	11134	7681	7142	4722	11254	10879	19888	11746	86359	202002	62821								68029	29115	30577	28434	28932	23943	27121	26683	407649	280601	370966	314783	214196	254152	109704	107417	99858	92714	108193	131392	108086	187260	159056	176345	139090	2320795	1543767	1120353	1515150	1515144	149161	147347	372652	204795	164234	305583	236421	268167	186690	168485	264258	2374116	2547067	1209271	3983872	2804355	96678	260044	90135	319316	65871	84760	85670	1313806	219524	786023	1029588	23325	68957	58726	71072	56734	11169992	7963508	5794952	6219750	10688931	8511856	7235325	7508600	10043804	7130450	6078373	6354778	4002096	4386829	6848362	6619752	43377	42955	45893	48688	50760	53893	52842	58428	57920	98758	73201	308042	538552	315297															70459	117312	150889	164706	42929	43072	88370	43985	106518	95338	193334	206323	243489	398671	2026800	1821211	1908561	1598398	2362956	2722649	2176432	2483011	2972564	3082895	3424619	2080814	2330979	1805403
MALONIC ACID	3455	3721	3290	8179	9566	14782	11787	3723	4562	4618	4546	4254	10105	9682	11165	11137	10961	14770	13882	17575	18976	13978	13811																																					16760	31308	26063	24228	23412	21872	49369	26243	15325	61511	73770	53666	58738	31787	51029	39557	41720	60463	65104	71120	62864	62741	86925	83912	76001	72458																																						13483	18680	13830	15686	7811	13776	10656	10869	4428	5695	6860	5156	4817	5214	54115	61661	93641	20168	118551	127488	113468	115824	101405	119231	109211	110438	79948	98254	83087	61855	90881	75477	104403	64983	157725	136383	142959	114722	148442	149040	106881	169271	154751	148469	142799	87404																																	13819	14564	19148	18656	26758	25561	35237	28555	31710	17774	31958	23356	30014	26101	25846	12922	21247	21810	35863	37353	44698	30680	37755	36799	36119	36112	44128	36101
MALTOTRIOSE, RAFFINOSE	249583	140666	100004	537	261	381	715	145276	12120	106320	12901	154889	852	450	265	369	143	386	132	266	120	523	667																																																																																						9612	9692	17846	14149	2541	8068	2598								1408460	1362920	1415831	1460823	1594643	1887866	1722653	1787676	13533	15394	14853	18009	21469	30296	9787231	8159926	8710622	10797800	8822609	6938626	7271408	7618368	6597414	6914666	6039223	326004	327302	396568	273221	234949	6047371	6622676	7315692	6797540	6929536	7106906	7024020	7208226	7801524	6303274	6927276	241982	188606	222342	211986	189236	80161	121071	200502	144069	97478	113602	123818	97734	155987	125443	163737	76453	82705	122815	96849	162673																	5246509	5441684	3816684	4618558	4006464	4175848	3753894	1043556	3796776	309180	280231	323683	316219	276520	3420122	3847602	4013604	4066790	3246333	2982025	3124612	3516128	3232591	229629	222778	126664	241251	217562	46697	62753	75326	71599	91054	82085	79353	90118	80918	52968	46388	52543	80233	63923
METHIONINE	10307	7797	4384	19939	17417	22406	18344	4939	5944	5641	7879	7404	17342	18751	18126	17739	14548	22158	19938	20536	27839	13941	30081																	27764	38107	28077	33827	39754	38868	28154	40709	30600	25850	41008	45420	41284	34656	58568	36767	50986	43238	52942	30370	47785	59966	39329	41470	42150	53710	70133	56698	35703	63485	31943	40046	51248	162473	71449	118182	88663	110976	141603	109149	118861	134804	106159	80299	77551	69659	25887	36781	38159	48645	23028	50109	36720	61799	37573	52801	40878	20916	33522																		140988	153161	150048	132591	78054	76067	85233	116149	47346	55060	63488	57393	48558	52671	52086	153191	162160	153436	77719	128243	69243																																																	321625	329201	382124	325045	372691	341496	441715	344345	337419	428494	457377	196740	188130	155278	172185	156493
METHIONINE SULFOXIMINE																																																																																																																											228423	133000	192488	155476	264143	279847	247446	212573	239807	291991	329334	156468	223927	295228	1039776	556791	457516	653545	642597	603447	602736	503403	508880	655049	571262	2051797	1336107	842928	1231242	991828	433356	178876	554400	1112836	458717	600576	533871	613288	700247	835018	513652	891154	641929	675492	705168	543543
METHIONINE-METHYL-D3																																								14229	18663	19274	13860	16371	25648	21926	11346	16691	23708	23812	16247	18098	16734	23771	25033	26923	26637	23576	18118																																																									60644	81094	78047	81443	85348	87197	96162	32757	63150	58268	54727	57943	51402	54313	66311	48382	56863	55765	44122	60574	55414																	120140	95964	69468	79254	69671	104732	73346	117422	77617	94523	94576	90203	79899	77451	85030	139346																	146555	123602	129846	129087	138577	117845	121905	132804	131600	110645	114796	117052	92599	118969	102760	72448
METHYL BETA-GALACTOSIDE	93118	82740	36126	109252	188385	162522	152478	71404	104323	94317	86966	89535	93907	208840	103856	118291	114651	183716	168778	99744	114463	89542	156962	23542	31998	40625	14290	12043	12017	13648	9915	12898	10023	22071	13260	13754	28010	22418	26834																					517101	562301	633843	563847	959431	1061532	804023	1052144	822127	448038	551141	519546	544229	529065	517133	534635	564994	1019596	893656	923452	925379	846356	506463	530501	499616	536095														16683	19062	15503	27220	20014	20793	24700	9689	14352	9031	49199	51317	82720	46137	55228	75787	58081	30389	19556	26086	21116	43817	39062	51405															1746406	1659704	1474832	1824927	60710	44053	93827	38089	33585	37620	5405	4743418	4428374	3317640	3083081	2665288	785204	953457	332585	346869	102011	74211	127772	99394	103492	120880	112990	1584333	1393485	1371297	1371288	1485600																	256436	249236	183289	233915	229554	146521	225319	137045	143779	240882	152187	186945	277659	260921	207201	231723	737018	724386	663621	647956	22750	29470	26627	28759	25964	1618315	1372017	1371550	1457222	1156086	663752	502708	676244	670183	23036	20587	23638	27884	29553	1019621	1185494	1251402	1316914	1344368	304422	250163	557782	252631	203110	221434	206062	219057	161148	519444	349545	424945	398288	477915
METHYL INDOLE-3-ACETATE																																																																																																																																																									14262	7868	6219	7559	11475	7850	11903	9368	6481	8348	7970	27324	14226	16696	14248	17024																	33557	25000	24987	23738	18984	28199	34827	42570	17322	53505	32892	20327	20427	23199	24630	16760
METHYL VANILLATE																																																																																																																																																																									5038	4337	5553	4586	12596	13405	11057	6293	6260	5494	10233	3723	5709	4981	7554	3998
METHYLMALONIC ACID, SUCCINIC ACID	3197	154251	1066	122714	152145	82348	402769	2996	3776	3057	4161	2796	131812	156164	131153	129550	73625	122288	65813	94438	45176	87882	320392	11113	9040	11738	55685	56499	27191	43251	16166	24134	30004	29072	39089	15398	28833	48884	92700	85858	196827	159458	135398	184683	53269	118207	102453	182547	159962	186053	247231	88081	94338	95469	165366	226013	194269	185002	192562																											173328	168390	196689	237172	296483	227537	442046	377824	292655	313761	401950	322189	212527	7930	24651	9267	117087	35642	10511	25555	23003	34166	9574	21530	21845	40465	19064	220335	204646	155139																						33348	26278	17168	15563	191706	167666	173466	233453	252478	183812	196924	3431922	2308144	2605012	1654936	593422	29271	21138	32497	32036	47918	66632	51640	53656	78521	79618	45775	9074278	6121235	6377888	4328508	8190185	86487	243405	127602	320050	74111	105107	109346	230173	96554	159474	223965	76604	77953	35035	107703	69245																	16253	17028	20561	18691	86367	79316	65372	88756	98065	145017	108114	421467	574493	284389															61710	69598	120311	90276	51491	43104	55524	43534	103073	88943	147460	126679	119926	193990
N-(2-FUROYL)GLYCINE																								46852	47351	64121	55740	57120	48424	47569	48132	75572	27045	58837	67734	73365	62036	47852	61294																																																												49457	42038	32414	47148	38970	50887	47171	21607	26571	25809	172988	175111	138535	105811	98411	108107	67847																																																						134277	182882	241542	212943	456705	446604	491832	322721	268704	238834	357193	295064	394672	350989	353134	295263																																													103135	88068	160222	163109	129815	135842	116526	158422	177176	78429	162350	146592	154358	230501
N-(3-PHENYLPROPIONYL)GLYCINE																								2025	2448	4144	199707	179016	132390	137162	110418	160291	3528	4541	6304	6747	5005	2093	3091																																																												1282	1042	677	1100	601	1625	1004	103457	158340	101526	3538	3671	2453	2161	429045	287286	257446	0	0	0	0	17860	6947	7045
N-(CINNAMOYL)GLYCINE																								8779	9288	17501	974129	819250	695650	917221	442868	448802	8927	14639	18467	21410	16539	6864	11863	0	7529	17027	103	0	2610	11993	0	0	117	0	0	0	0	7779	0	0	19053	12245	0	113	108	577	590	159	956	160	925	955	27263	38904	22397	35008	401	424	538	693	749	1517	1574	1836	792	33986	31842	27940	38403	0	0	0	0	0	0	0	0	0	33263	19566	17437	17977	11028	8696	7986	9341	7130	6643	6595	825887	1224654	887216	19770	19816	16496	12903	483147	1320448	759267	124	163	422	274	52032	21536	23621																																															69557	108789	127162	127534	261723	264835	311225	227304	174925	167020	295288	170011	176826	153511	187246	136836	12109	8202	10268	8173	16336	8863	5928	10849	15444	10051	12253	5314	3269	3108	4304	4397																													41447	32723	111304	60279	51754	60652	63274	64138	91442	46497	47406	66055	45442	62581
N-ACETYL-ALANINE	5610	4633	1649	7564	10742	9880	13306	3655	6500	4545	5703	5022	8348	15170	8831	9828	9489	9480	12330	6242	8902	5223	12532																																					19656	21776	22113	20151	53792	58719	68967	43336	41172	33070	34113	18833	34616	36552	23211	27600	28009	36877	43613	38939	68688	51805	20263	37199	35040	25845																																																																				56495	114018	109891	109491	137390	159816	138885	138721	171908	179165	142099	240342	215111	202012	211096	181761	76931	104848	190162	96308	138479	193736	174970	73969	84829	117242	115881	138694	136177	189595	141771	74047																																													20288	20656	28795	32361	40573	41849	12819	22763	15839	20950	11780	24381	17613	17487
N-ACETYL-ASPARTIC ACID																																																												4641	7706	8307	4816	10723	10650	3258	4519	10590	166410	126618	180992	291521	11414	7059	10813	4399	4856	11575	3967	10055	8564	91248	100334	121106	84099																								11132	11305	12704	8905	37376	24101	24676	1538	2233	5179	5695	9040	8853	6537															23855	29020	28774	29542	31173	31491	30317	33475	32172	33433	29736	45865	40062	41153	47633	36069	26363	23875	26875	23889	26196	33704	18195	31984	17285	19494	25855	36892	34356	37011	37711	30286																																															19280	15232	13863	16022	16163	20024	19709	22264	25552	8846	21076	17253	19266	18749	41740	40501	63535	58049	46746	42418	64499	47012	70195	59628	67643	76008	69566	68164	25559	22908	18596	20865	30130	47480	29731	30207	26811	37957	48488	27068	28278	33286
N-ACETYL-CYSTEINE																																																																																																																																																																									171896	212292	316199	258322	305893	318224	335080	231024	264735	191067	270828	261570	267501	314308	123923	304740
N-ACETYL-GLUTAMIC ACID	525	107	0	10969	10274	16956	20274	260	850	529	239	864	7448	10684	9451	10106	10343	13056	13103	11820	16171	9752	17084	7154	9767	14787	21698	26159	14054	23195	15217	21103	8597	25982	29356	24731	30306	23737	24921																					15458	12763	11936	11162	35903	41254	11852	25885	42508	133567	114911	248286	259985	11961	11849	14147	10388	4838	6811	4286	10034	10562	83966	83912	97361	65390														10661	11276	4686	11790	7538	5679	9458	10170	11875	9870	27124	26162	34506	13914	55506	25461	36591								4253	3792	3039	3279	8580	7378	3460	7863	142064	155906	174593	166376	152070	185014	31620	20059	26939	34252	66219	52001	44954	53488	45597	74722	46502	110697	111189	114879	109991	41965	24797	27842	26710	31020	56400	67604	50788	61060	78651	60265	45505	47092	32961	37287	34947	28277	139403	160310	264520	157176	106260	102218	130831	165876	111123	204491	233947	188454	193916	123874	225950	84937																	17612	16533	11119	14471	32722	39352	18933	24313	23816	65058	19885	30069	35512	18695															74070	66772	99199	93378	113384	109196	94097	58047	106521	97676	91279	96793	85211	84023	29297	30704	28387	25099	24262	33271	25447	24009	30125	23733	30330	21438	29436	25426
N-ACETYL-LEUCINE																								14262	20320	88486	56308	102030	27698	30926	40311	129833	33232	107694	144827	141529	87605	100306	73034	20372	13350	11571	17031	15245	12469	15145	11877	12567	13085	18331	16362	14296	16133	13098	16458	21261	21050	11474	11157																																																		111296	111874	85323	49592	96128	111959	29282	62520	49739	42976	27953	70954	70619	61191	6286	3935	4713	4407	4394	4027	4631	4176	5740	6868	8150	33918	11694	8664																																																																																																											177917	151690	189871	128367	159617	206623	162519	173709	253927	164842	202734	148986	164146	133358
N-ACETYL-METHIONINE	28982	21680	13533	54060	38687	79072	80587	18567	22010	20135	24867	28767	50620	73480	47568	53236	52310	70307	76116	73537	76659	56125	105904	13493	16835	43880	33768	108210	22098	23757	38350	79496	22429	110724	144950	109600	75060	93034	63750																					356062	332231	360327	351322	545534	602583	588688	544010	454503	555977	551280	533337	581690	373039	314320	333073	349615	504702	562421	557154	551023	513992	513088	575982	573673	525941	12141	10181	9194	24519	8925	23780	8224	18856	19015	17166	8288	9280	10350	33504	23380	15361	15497	12180	21114	16617	23130	28789	14717	68637	71189	54920	33683	18849	32531	13981	28608	21897	19598	13148	20799	20166	13459	155817	121292	136298	146373	135846	142004	154076	133351	37693	17489	37585	58455	42973	51836	129926	134995	650312	137679	866544	904388	907974	892744	910797	848276	773043	945272	799124	804885	592170	507073	513512	696365	653372	680008	749402	845094	855254	917337	920944	956325	757513	1028556	798925	760829	743997	732240																																	234560	237115	222101	250711	361608	372375	305553	279619	362297	173617	321356	309376	347509	332634	240022	212625	278139	274618	379672	372613	327840	364730	337837	330655	363560	383802	465039	429278	59836	50290	109147	109634	103545	150206	80929	66058	113280	48058	87624	73204	70714	96370	55477	47700	49072	37009	51949	68594	66703	58162	60803	52814	67610	47393	49811	39783
N-ACETYL-PHENYLALANINE																																								17183	12934	14542	19398	10257	13158	21221	12428	12263	23390	23988	14358	61309	16478	13798	20229	30190	21176	14980	11902	15557	15310	15055	14934	20073	35608	27215	25544	20662	21448	24153	24746	27421	20547	19099	21107	20143	27864	44921	38344	34938	37657	22548	25717	25270	28292																															48439	38110	35842	23699	35235	46273	24594	9846	8055	9048	8837	8482	8899	8508	8643	10905	13091	20127	98651	23060	17183																																																																	23189	23039	18128	23504	25309	29140	25541	28733	34153	37700	38088	26345	30867	34631	24302	24233	25526	26570	19100	33987	17690	29864	25584	27936	48117	37112	45751	49701															220806	261072	310109	187938	153536	214470	137232	161286	230764	238713	270581	208312	251565	181379
N-ACETYL-SERINE																																																																																																													64778	63809	42902	30915	44915	47065	26159
N-ACETYLGLYCINE																																																																																																													34419	35759	29531	25934	47326	39694	24113																																																																																																																		44964	28780	53381	71259	68083	83937	46390	41576	68342	64001	54408	40390	56000	55100
N-ACETYLMURAMIC ACID																																																																																																																											1145	286	1242	1817	10	1364	311	1820	21322	26194	14089	21680	58196	34782																																																																	4478	3822	3558	5897	5896	3911	3842	3652	4598	90616	53381	49292	58645	29843
N-ACETYLNEURAMINATE																																																												42402	32737	42631	47611	891018	816616	666774	764303	906986	39732	38245	37959	37313	25645	25046	22574	27697	475855	445485	485340	461374	603190	32083	34147	32142	30087														2382	3216	2691	5282	4755	3748	4559	2619	2972	2298															15682	13218	7390	17976	14215	15323	16950	16235	4332	5843	5783	25077	25286	30946	184612	109612	100846	126332	127108	110342	106499	113026	108007	119543	106514	138343	95463	110485	100371	93438																																																	45578	40478	46382	41660	34933	40456	33392	32534	39006	54736	27509	33922	40157	26794	39131	37270	38299	37769	30612	31878	32011	36513	32074	24787	24663	32365	28786	28603
N-ACETYLTRYPTOPHAN																																								6191	4297	5871	8364	5664	2893	4710	4698	4641	16729	10820	3355	9084	4935	4580	10019	14982	7331	5461	6027	5665	5905	6989	7346	25994	33424	22718	31677	22295	8468	8254	8634	10267	7292	7799	8457	8038	28099	34706	34430	34871	31603	7347	7769	8596	9877	7735	9645	8726	13379	11976	9355	10391	13404	8834	6493	7525	7557	6355																		34669	27770	27143	21660	26917	20968	20877															26696	24612	24089	29240	40929	31721	38708	37868	39121	38126	31035	64517	53183	51238	27807	44721																																																																																											103441	135891	170134	97096	70746	107567	50480	77616	89555	114496	104008	88520	55775	60243
N-ALPHA-ACETYL-ASPARAGINE																																																																																																																																																																									110764	143700	169229	166452	217365	284778	196193	252636	236385	155840	278443	197471	353456	286556	263056	277616
N-ALPHA-ACETYL-LYSINE																																																																																																																																																																									152197	84230	159211	77984	101004	174986	164534	139682	128226	107951	80327	160071	172739	179776	188197	202644	16042146	16975254	15365877	15660802	15376082	11320505	14718278	14478562	13061664	16832058	15925653	14987619	14195684	13600057	14184641	9289801																													38508	29525	44696	41443	59154	49601	36564	39333	41623	83100	37548	40331	39603	38032
N-AMIDINO-ASPARTIC ACID																																																																																																																											9716	2877	5962	6069	5625	5570	5990	5431	70098	88326	111576	165135	52084	149405
N-BENZOYL-D5-GLYCINE	260814	431174	340024	322091	416827	93249	243014	322455	401473	423054	486720	347063	287111	339063	281547	324238	313038	268195	262488	219974	197813	246015	143421	207264	213627	232234	114761	114542	107986	118729	117117	105756	227342	245097	216905	192836	197400	209598	225558	343318	380614	375943	391294	346644	433268	422910	371754	354276	484039	499504	348280	418192	355872	505070	522695	555317	535647	470868	385207	2304235	2563951	2517550	2371527	2444915	2143456	1725245	2425242	1687554	661625	833315	1312438	389360	2113595	2473660	2455505	2285767	2243998	2148262	2432848	2337960	2332853	1027860	861783	1047441	1122571	419472	417726	429131	437672	440299	525784	566926	444796	441925	412802	403513	413731	419086	257658	266609	250455	247888	252715	239485	237723	79762	42356	53101	2256950	2235321	2315940	2310514	1764165	1633404	1665767	2443309	2372398	2315452	2323744	2344666	2338788	2316392	3045339	3580182	2818199	3278616	2464071	2350111	2886539	2641410	2630459	3177953	3080328	2671694	3192571	3121170	3302719	3232968	3177980	3047993	3272127	3515908	3223395	3158815	3043820	2758637	2492162	2619636	2801955	2816040	2791211	2981116	3007708	3108106	2924468	3079736	3488068	3653964	3483926	3600660	2369198	3615977	2818369	3470296	3660120	3703004	3369052	3720692	2325833	2293032	2197960	2354998	2314128	2207248	2107458	2189800	1941760	2026205	1922870	1524986	1473307	1432148	1425538	1462175	3523829	3512814	3397713	3507619	3610470	3523834	3581108	3517204	3409147	3399055	3457388	2951629	2992866	3023287	2975024	2975088	1371857	1265599	1446741	1368838	1227641	1297752	1366678	1876446	1668292	673245	1663516	1702701	1711467	1468127	1379677	1466894	1346729	1309360	1314857	1322602	1400940	1703108	1345164	1444005	1688089	1629652	1653378	1569043	2196819	2195476	2477560	1807610	1122854	1241842	1723053	1911801	1531715	885732	948755	1201345	1019003	930590	3416786	2646186	2750513	2670196	2722244	2548782	2655188	2671578	2577724	2055953	2739758	2083372	2832908	2014281
N-BUTYRYLGLYCINE																								81075	58026	72941	85355	99263	120839	88921	54087	96619	42494	120169	115400	126526	130176	79121	91952	8610	19870	14736	13218	15157	7032	15612	10407	19872	12571	21207	12503	6789	12873	11128	22227	24480	21838	16815	19215																											14970	10651	16558	10127	9888	10964	23896	19355	11906	7813	16660	15598	6125	139617	203774	205690	148651	85277	102101	132421	65279	68411	106914	536387	498869	728522	725207	998508	579335	830970	40292	43336	34684	37556	41850	25437	34437																																															275941	343067	766665	479145	474539	517541	642987	570335	718876	330267	485685	399824	496224	548609	822895	706034	89732	114743	114303	105102	61836	60232	113170	91585	89338	103152	106381	43459	68768	110290	64496	131778																													204256	135050	400734	417039	543872	678175	141360	299541	274028	331978	221657	329440	282864	189789
N-FORMYL-METHIONINE																								199434	187574	198503	217612	334784	191845	200576	221902	285466	65341	605927	505864	519914	496862	385024	355030	22073	18148	12489	6783	22877	10751	14836	16714	23321	9563	13565	16528	10849	16856	12457	14018	16218	19142	10965	24215	23311	17524	21055	20447	40575	70957	62878	53676	52076	37818	35046	38151	37075	20848	18602	16038	19944	63892	62954	55929	56808	61250	35132	35924	38394	32017	22632	10487	23424	25306	10871	25887	11888	21402	17156	15485	8946	7784	12293	439046	371137	535082	237280	191547	378848	404549	206251	154480	185025	25614	23534	27013	26412	36830	72721	57747	40180	33532	24154	31629	22401	22629	17798	11482	8301	9180	9890	10643	9991	12329	9114	40927	48125	48269	65104	34430	28721																	17965	22001	17168	17350	25230	26237	29719	30080	62957	24879	24926	45290	38538	41262	37150	34393																																																													538984	485977	753699	1084655	1902511	2624438	1374168	832987	1596732	732639	603914	790962	730566	658204	46735	43520	37553	30178	81122	56990	89940	69640	53865	42012	46832	49570	39867	50257
NICOTINAMIDE																																																																																																																																																																									21136	22462	29268	27348	36277	36007	57576	33984	44620	31074	42594	39764	38211	46231	61046	53551	34940	36271	23035	29641	32157	35716	35221	33287	33161	27598	31424	23254	21303	21623	33216	28609
NICOTINIC ACID, PICOLINIC ACID	590	174	0	5642	7300	12971	6976	1541	2966	1825	2835	2579	9907	17260	2137	10337	1672	9696	12431	1612	2007	1352	16824																																																																																																				2031	1651	2871	1122	668	1084	2145	285	69358	86104	90998	37556	138584	64897
NORVALINE	44196	55589	29237	39419	107229	97399	94646	55412	80288	58886	59556	81206	53697	133310	80902	31523	48085	120259	74634	53751	92908	30290	201538																																					107702	243134	171637	127418	43603	94939	184099	69300	50708	312783	261523	238743	370355	811725	238443	369067	607681	356094	623858	257894	351404	301826	457790	663376	647360	543267																																																				261573	1001583	411169	368989	468354	1183624	1044183	701666	1775465	2027413	1460585	730260	1017900	1367516	1342546	1002542	584005	1229448	969803	1062191	1175156	2408378	2278356	3221486	3194886	3137696	2072949	2339368	1424092	1233010	1494039	1744789																																																																											700660	622694	731796	621954	568503	586323	528116	569808	744605	588515	556515	528202	596092	620387
O-HYDROXYHIPPURIC ACID																								167585	165956	272804	215708	211316	190420	183932	186676	319634	68169	243786	269898	278234	259884	147892	234281																																																												201108	141897	95422	161736	124717	153131	140862	130990	202871	90903	557291	559138	374698	244622	262272	558630	301380																																																						373941	539226	785668	729065	1510292	1537205	2211030	1139087	1047186	886641	1476265	873087	1049026	1033260	1134393	876533	21384	12934	10718	11340	16932	8522	9766	20671	4794	16427	12621	2242	1830	4658	3698	4149																													374932	376440	782156	680753	547510	581053	616646	697482	784302	243184	539484	416408	409721	605792
O-PHOSPHO-SERINE																																																																																																																											1723	1454	1006	1204	778	861	1629	1110	19256	18326	21226	22515	66556	83727
O-SUCCINYL-HOMOSERINE																																																																																																																																																																																																									44670	46453	34494	43109	38670	41790	33715	35972	43801	62622	44820	45050	43005	39213	38162	36908	40940	42368	36305	33428	33051	40946	36955	36040	40414	42643	41371	42371	7495	7664	9734	9524	15909	14227	8978	10078	10605	8252	8802	8629	7601	7190
OPHTHALMIC ACID																																																																																																																											21354	12985	16210	12530	17282	17542	12761	15780	14178	12338	14538	21009	18913	21501	65224	77973	65007	61181	76633	63772	74316	62008	74431	65137	61982	52969	46626	46780	42966	43835																	13031	10195	2678	29361	17234	22572	26113	11774	49804	22682	40245	3799	53088	25641	37092	32441
ORNITHINE																																																																																																																											24775	12591	14383	16263	13412	16604	12189	15224	68768	58436	65564	72500	87744	73117	57273	98941	71244	84541	93589	84802	70557	73453	88658	129798	66934	196996	220972	169890	185815	100760	53018	94284	42044	95504	53557	115830	74242	113501	117110	66575	83524	122839	115566	66761	98391	83815																	134223	68438	132577	150622	160584	137343	149174	141595	97982	54058	142088	99079	28127	99357	54963	90846	48480	40336	38869	36603	54940	55414	47658	49878	54325	78334	62118	63020	73939	63894	48379	36482	50388	51870	50866	50133	50172	68143	59151	54668	77989	64858	72915	77666
OROTIC ACID																								9504	7827	9883	6288	3456	5620	6277	2586	4522	4513	14364	11628	10111	14485	7348	12659																																																												10960	18182	13739	13005	15510	5942	8584	3649	4326	2249																																																													59584	105500	121978	117206	165623	182659	224480	104118	221750	140516	152047	350568	162768	233893	250738	343884																																																											11966	4604	26283	19366	7163	10038	17924	15833	11165	14654	13848	20269	10907	28196
P-CRESOL GLUCURONIDE																																																																																																													3966	4474	3669	2830	1368157	2073674	808960	0	0	0	0	37456	45290	27261																																															9969	12797	17319	12845	26466	26343	24732	23349	23049	23903	31178	18181	35144	27184	27841	28530
PALMITIC ACID	3449321	705163	1911604	821721	5238725	2012940	769781	5772530	4933902	5568298	4340193	4717980	3742818	2346313	6674450	2187223	7690372	4164316	1699699	6856864	5362630	6090422	1542549																	3536017	3112306	5989314	5259364	4050185	1599065	4478175	4610757	3837379	6477472	4321013	3103512	4051371	3337871	4243834	5158886	5602870	7129342	3379851	4739168	11219686	10349770	14246722	10986035	7910426	12108148	10795813	11951140	9066362	12169587	15534545	15248313	16635531	29006466	17992488	21579934	19554946	26421238	27339922	22165520	25521294	28048098	20353868	26552386	22327774	19163850	18397820	18007460	16505362	16351517	15921054	13129820	16337698	11594761	12382441	13460863	14168854	14360864	14854151	592903	772497	720578	664715	714541	675282	661523	674547	661080	638576	8469443	8396281	8071248	7353689	11652867	19276662	20424732	51931680	53755312	53337592	55533352	47853092	48745936	46151420	21866674	16470727	21003908	16186708	13341173	11906149	13481519	9909793	9228535	11346853	11147347	10291909	11244778	9763601	482976	773843	782924	644329	936247	783214	48899352	50178332	58324604	49046268	51788084	43605152	44190768	46872772	44914800	64173396																	30009142	27040530	27023278	26698344	25113396	20992704	26078840	22911694	20411614	20776366	19584712	18806982	16433783	16974962	22425828	17268894																	26385122	26226732	46171240	38346840	31492844	27735056	31679996	45063864	32348954	23675398	56341612	37145580	33740088	33109012	43155924	40831456	37021204	40595148	49945004	42463148	41322880	40728408	40384688	54649536	62253160	48992780	50897872	53904732	15329303	14321884	16747811	16768801	18562188	17594266	18143222	22100928	25749488	16436154	22855466	19149794	16897594	32003112	135418160	141521936	136897216	128581152	119473856	115906432	126720744	134307344	130550992	121244528	113932424	123457104	116436216	113831392
PANTOTHENIC ACID	2088	911	214	13415	13035	31158	30967	2029	2677	2322	3335	2768	14952	29450	16596	13768	12393	25269	23787	26656	36199	17656	26757	155843	132240	201161	184739	174892	154896	178384	125314	188805	47820	178547	179884	199955	186400	123601	181751	29328	43424	39988	28403	37657	32705	44851	35854	29861	33391	37430	35139	23223	23236	64151	38963	38027	59446	52995	40508	4677	3292	6305	4542	34413	52418	32934	32186	29903	13197	12777	33070	14244	4652	4146	4865	4673	32367	23784	26843	31765	30183	12961	21942	21009	16956	20143	21381	24145	41250	34852	53116	31899	36830	35656	38240	28342	22951	31468	130528	134314	147314	223685	142045	143667	160204	41958	30286	55707	286403	305790	294585	332330	93618	31317	40218								5691	2636	3124	3545	4248	3736	4117	4242	276642	360523	236543	98442	543276	353596																	7537	9667	12457	6020	14055	34504	20026	25467	22721	25243	20788	44424	34762	29602	36039	32826																																																													238557	144160	279521	398358	562954	416145	199214	189967	271171	385659	244548	217370	199004	273503	55336	44142	50160	42671	60459	66580	62792	52350	69695	64969	70414	55784	60638	59480
PENTANEDECANOIC ACID	34481	13792	20477	451206	296960	475944	81187	53162	33170	30564	24791	36661	1496447	2492198	1629457	259111	1685726	52821	1213380	1781742	2324977	996151	1303893																	46394	61417	47926	52301	42421	40426	40013	47806	38602	63652	42981	33240	45190	35113	41858	50138	53196	50834	27516	37757	1096316	1017594	1026415	905008	1487225	2263258	2180940	1928777	2071164	734576	751153	737950	709438	755226	648478	650866	630387	8905878	11241599	9109930	10605901	11456507	661602	670398	598440	598199	167549	153099	132423	162943	196064	143148	169505	124051	120200	127111	118441	117650	118415	8343	8207	7968	7946	8485	8077	8190	8714	8718	8170								466092	461572	434605	411057	467348	479493	418655	223672	15302	151805	15788	128967	107850	144391	107214	2785355	5558012	4481313	1603069	6727088	3234704	380998	557417	548494	337925	524754	614147	587971	621507	618697	451811	578478	680649	679128	716010	650528	785291	637184	715383	796283	558871	566436	746823	779954	1388321	765080	683208	678772	1173375	1133544	1115720	1314744	1374136																	1984082	1722032	1609007	1613994	1762578	1800398	1881441	1711106	1902283	1474018	1588467	1148311	1142937	1027736	1129661	1000024
PETROSELINIC ACID																																																																																																													125830	119495	129008	126679	183026	260246	275194								29313192	13875492	21612348	10468514	7818213	9466878	17190266	11142239	3997745	21567274	12791560	14315113	18675508	6152546	86641	225895	290232	135034	347500	425474	609703	50528032	45617268	17152162	62253160	19262840	14622309	16279496	9958928	16260197																	3257507	3271237	2861857	2785906	2502286	1968340	2655129	2037537	1919361	1952675	2194803	1607209	1565096	1483246	1517306	1565429																	11314755	13026083	31257752	23085014	12519584	16796066	16603530	27552496	32998648	6305183	35085948	20170740	11648005	10990941	26436930	16720918	16925530	16770642	24838960	25719128	22715124	17574572	17882158	34873984	46023000	34447916	30541298	31006706	65122	67676	72547	74340	92066	81915	92955	107412	93227	73455	103106	87156	237075	146584	42690344	53328956	60257936	45206540	40732432	26902146	39469740	36705884	35192836	40852596	34994208	52388852	46210244	42299496
PHENYLACETIC ACID																																																																																																																																																																									62711	62149	74608	55063	93260	117286	154301	119533	118057	90132	138177	71530	63676	110365	89292	70800
PHENYLACETYL-GLUTAMINE																																																																																																																																									34791	30506	46285	46053	55955	61952	59864	26927	45864	47769	28754	39600	49620	46524	40608	28300																	12362	22112	34952	17038	28969	35046	47154	22918	25760	18090	35127	33325	39621	32017	37051	33425
PHENYLACETYLGLYCINE																								781412	557185	888810	1531328	1169249	1168447	1486775	801354	1166517	276001	1656821	1720516	1911250	1770334	1384814	1753174	37876	28054	27696	11389	43379	14239	37490	24582	42365	16490	17834	29570	16522	37577	33608	14598	24093	37937	39965	30576																																																		2382216	2423339	2427712	2764361	7184940	7753628	4419070	31771	25927	21641	26303	123963	100535	62726																																																																																																											2852901	2195453	4030622	4280662	6012172	6070224	2913690	2843363	4487386	3858630	3915337	3775746	3403176	3886942	129724	136383	159721	127323	110986	133678	100288	118381	118347	143995	158795	135013	131607	157200
PHENYLALANINE	95537	67499	25020	107673	113025	72819	63260	50121	78209	58866	81574	76538	85872	158751	79294	73540	53430	60519	51440	49137	61098	33796	131747																	140388	139218	141023	167946	119996	90628	142886	107246	133114	202415	209354	131870	236443	126644	176727	210560	232093	219453	174145	146256	147297	263249	143097	121342	61012	120618	128931	156055	66889	0	0	0	0	904379	303117	428215	376066	338162	572468	351234	301495	409106	0	0	0	0																															584206	474560	498368	375970	458194	524479	407535	930592	252548	303559	446983	248999	283468	308073	264460	496474	644343	493688	98924	384417	177418	621211	984034	845921	796250	1090904	1214652	1052120	1333123	1613872	2010209	1578120	1515862	2128836	1550517	1793471	1084510	610822	1108812	878549	564140	576617	1178684	1007436	1563970	1374942	1513190	933430	1161112	1072315	360891	954484	1009281																	1546596	1418857	1263468	1394770	1325562	1382024	1397753	1409327	1292814	1312784	1320176	972551	985946	1004796	1120452	1141372	433517	320450	396901	491441	1011044	700434	493572	848058	1080994	411515	718762	528079	563722	606320	1085432	658894	870621	886804	1037650	1241126	1142321	1292690	1059780	827389	1399066	1127684	1370520	1438268															1119510	1000645	925619	962630	1211884	1125818	1013606	890229	1208203	1104327	1133231	1075330	1051471	1087252
PHENYLALANINE-2,3,4,5,6-D5	29586	45032	33496	24165	47520	20966	33932	33866	44982	43463	54358	24754	30833	34929	28517	27395	21765	34538	33700	23046	22712	26310	29948																	51634	57869	59100	56939	50470	66667	63193	42921	49990	71871	71044	48613	59139	37950	77662	78756	81270	83051	58861	53054																											55005	53224	57490	55846	56700	68184	74519	58889	59319	48325	34952	57844	56793											133582	140665	149304	145379	136435	115855	138588	156101	153102	152043	149116	158093	161342	157145	116515	134367	126370	128635	117932	115344	130315	127517	93573	113345	110168	0	116780	116792	251840	255006	257485	242275	254615	300934	275576	237512	250032	223948	290692	221956	216312	260202	214164	259635																	338066	303085	322284	326371	331149	326586	311001	325389	306156	279757	289473	280609	281659	276035	239189	288621	455324	407365	382610	403124	391948	420630	408064	372501	401936	379138	362735	375134	373778	392881	393160	375930	150864	66379	178952	108844	101414	127141	124687	87025	77810	70945	116087	108756	115507	139145	122295	73009	101064	79116	128753	74213	69906	44899	152861	85155	105549	57279	102269	62085	235446	221397	105481	135634	184295	190828	197604	182070	92529	134598	213595	79208	205978	215204	263258	228530	261191	269790	258911	230391	279042	285074	262864	262765	248079	266250	277092	266889
PHOSPHO(ENOL)PYRUVIC ACID																																																																																																													15281	14724	16149	15023	4192	8390	4649																																																						15257	19230	35750	18805	32671	40737	68261	37006	86612	35829	53152	68221	70445	87188	94994	79524																																													8372	4442	7972	8298	27181	24859	7242	7312	16202	7261	14301	9500	9345	7413
PHOSPHONOACETIC ACID																																																																																																																											24415	26241	23104	24584	19679	26168	20475	23108	76509	50072	66736	126790	26044	57332																																																																															36532	38461	40235	40923	32978	28427	30389	36144	33611	45464	49314	52768	40947	44955
PHTHALIC ACID																																																												16965	30608	8047	10861	12186	9515	9721	12071	13156	8632	6931	8877	7187	36296	35000	21911	35407	8595	8065	7403	8945	10069	7788	7321	7877	7251
PHYTIC ACID																																																																																																																																									12462	37132	50329	12384	7992	5044	11082	6730	57620	37501	7799	6119	10532	13221	22569	46002	28591	14882	45416	34645	50976	16936	47063	22775	9270	4741	3841	24009	26039	58499	60894	11225																																															3358	9484	14127	4421	19515	2967	4654	6013	12054	3920	3329	2102	2259	10240
PIPECOLIC ACID																																																																																																																																																																									58587	87069	121498	91528	145582	158004	201324	122670	138917	121375	169120	172006	202444	234556	86913	226044
PROLINE	40712	40281	21162	52257	70874	11169	15360	50072	91647	66573	78868	87328	62031	140960	63183	81799	77313	11780	11624	7189	11624	5722	19526																																					55360	137228	151880	172153	79280	129144	292655	78208	63361	9340	12404	9837	8850	410815	293107	292862	351116	392965	435633	365840	513680	244414	23029	23654	19717	27145																															145135	114226	124531	123086	97650	113473	62744	130648	308782	113692	128880	17620	205429	55018	194477	124501	132101	114408	106501	132792	85757	265731	976001	978692	524512	586346	979496	942301	1579871	1859902	1084803	1704499	634112	603441	438316	399074	241808	780393	1242252	1311284	1950938	1315500	718176	1790752	790494	769485	859703	1680281	2676290	2087580	1804956	2524233	916798	45302	59250	76611	68408	94201	101509	109959	81112	90417	93510	107853	96793	113465	118637	62498	102739	505195	345778	452963	368394	465020	317820	468457	395813	445206	363654	393106	317289	320360	274765	289237	191962															324125	318203	400108	422383	348124	456976	393284	432646	468360	517585	627366	607922	634931	607714															37114	37171	45812	34580	33952	50232	47208	42750	38429	47164	60665	35082	45093	40756
PYROGALLOL																																																																																																													42077	42418	34956	21553	57173	69935	53440																																																						51115	44971	84807	69043	236390	213645	244878	134076	157956	121096	191714	135747	166920	201573	172003	111325																																													42196	35264	61433	58167	62918	69489	61352	66630	82902	40054	76006	53779	48563	77121
PYROGLUTAMIC ACID	16209	13595	11998	25696	26110	34020	46194	15745	20160	17309	28749	22207	30230	47532	24136	28683	27169	45331	39506	32824	34102	22865	44695	32885	31346	39072	32228	32963	40343	28101	29324	28008	23561	60179	37939	60281	61384	39646	56358																					19157	26618	20140	28519	23403	29261	28814	21081	22850	17283	24741	27132	21633	42407	41619	42656	49066	31825	44038	39050	33115	29159	34971	33316	33811	36000														42570	41719	42941	57608	45962	39842	48831	18476	26019	13301	83743	90836	76281	87133	92658	108402	114312	25557	25918	27697	32887	26946	33417	20313	28269	35673	31036	33341	15415	20012	18131	22788	62347	53134	46517	49852	73622	66278	93990	153165	117875	113650	105749	85481	85244	88089	178684	169638	113646	135378	150122	156044	169863	160580	174427	50080	44304	135933	82658	67222	111419	141319	150120	155121	129875	227919	273077	250598	309136	387689	191987	271927	375498	307292	553541	466316	528434	450695	499672	424477	508842	474899	533598	651225	508408	521195	140855	130047	106560	99218	107961	139991	100711	107377	116266	105513	81011	77794	64735	74479	66493	77158	69080	60123	50986	44846	47723	49976	51064	57267	64522	46045	51733	43084	44956	48262	98248	55897	78929	76451	71919	72204	68995	77071	82203	41692	67515	46072	51614	56194	95384	89836	146209	149114	183974	193951	156379	166288	187144	149253	242910	150271	163090	186218	25295	10387	32697	23630	23488	28868	19733	21346	22477	30496	29257	25458	30183	21046
PYRUVIC ACID																								2494	2119	1641	30488	43078	9162	13795	7732	4172	41619	28589	17746	4494	12384	49830	38295	31588	18409	31183	25511	29881	20331	30633	32377	28982	37895	19091	24438	47328	25720	34346	27653	29553	34933	28844	32214																																								11413	18373	49423	50007	8224	14628	21244	17247	21680	20710								55204	34949	38710	50595	63755	54508	61068																															165630	176762	179744	92815	203031	201435	204559	184632	224798	205965	164718	237503	110246	260341	239576	220087																	861218	700752	771432	687243	829072	874839	912370	828120	794024	790356	784254	729555	613659	633885	725770	546799	65819	57442	94313	72762	81671	81667	94284	94331	102652	117787	126690	115862	106250	105243																													225779	295933	257541	261579	226573	237717	245502	246741	206974	261116	278554	295853	296014	260332
QUINIC ACID																																																												53073	67751	65290	74588	95726	118096	110761	113941	83665	100634	112605	85789	86360	54284	66667	54518	65752	65867	99433	102080	93823	85860	106456	105063	78243	83001														24074	23356	14685	27939	25649	26662	23254	18098	25726	19054	76562	79519	69840	47789	14022	31120	22384								30007	36164	26863	35753	35388	52310	34265	44148	8412	7659	8271	18612	8197	10315	154604	149925	107289	194577	41460	32806	43182	32305	41024	36092	38786	42251	99415	53965	104372	82790																	214208	201849	277692	266436	333744	292471	369833	257618	288599	133910	132038	233577	355878	325281	450478	333142
REICHSTEIN'S SUBSTANCE S																																																																																																																																																																																									144698	190024	70858	472401	232810	425929	426451	612290	378215	457781	733364	198117	188589	170461	299821	374892
RETINOIC ACID	631	979	717	18432	234497	12981	6276	995	2162	1603	1455	1480	8146	19549	6619	6999	1302	11040	6981	6033	5266	9431	10880																																					292857	641798	335637	257765	33688	108783	74376	245408	30215	19092	21257	49749	31515	195468	322081	73026	1259063	59163	63366	408594	396443	53259	18396	71627	28430	62787																															18614	20256	20486	17859	11690	11503	10426	258798	1410403	84251	1234772	2048811	3249036	264002	1223909	10343	8266	8123	9131	7242	7586	119696	116321	337465	82925	1313604	2496977	797390	1605139	2082852	808617	3144713	3959872	564716	354800	213890	2486928	102073	103679	101716	90702	307915	1032784	3748446	2422288	627822	550742	2424901	4764894	311143	457326	191978	582433																	224216	99561	94402	90939	92362	83232	94461	103896	87916	72162	88658	94052	89691	80779	84510	94155	25314	97122	15709	27850	23007	20128	15550	17226	21766	20349	17691	24335	23682	731860	14227	47615	18154	36677	19041	24268	19704	133894	26418	29377	22213	23098	24170	32812															11212	15560	14890	11053	11374	13035	12959	10856	11820	11840	17144	13694	10336	12350
RIBOSE 5-PHOSPHATE																																																																																						4677	1613	10136	1540	6370	4239	7638	6043	2980	7532	14259	6678	5238																		4921	5939	9260	21108	6603	13649	7202	234	667	419	272	155	427	441	384	2308	2078	2680	881	2725	10199																																																	93921	103656	112897	72176	62129	57826	64838	87172	112922	52088	94847	78892	80419	143026	91655	133157																																											17429	30164	8959	18428	44893	45700	52312	53348	54230	25631	18860	57981	43058	53816
SEBACIC ACID																																								204584	94251	212251	221125	155266	30521	70256	174465	183530	304604	194936	176595	142112	166698	213401	307000	341226	269547	112405	216359																											226398	194275	130648	267116	202613	204473	173271	160867	119287	189123	143482	178220	215970	2488	2546	4033	4615	2447	2679	5415	1270	2564	1777	11261	11517	11139	14110	67331	35318	41469	406734	340181	320199	210284	297319	370762	254526																																																															2375566	2677515	2513900	2353951	2326976	1830539	2176525	2210749	2257623	2551509	2441168	1915513	1892007	1851208	1746864	1375290																																											1648248	1386810	1574551	1639013	1513716	1611017	1610529	1283142	1584559	1503358	1586158	1367011	1772712	1344381
SERINE	16097	13881	7675	12995	17671	14690	17999	14428	20438	16041	21849	21215	11714	17607	9545	11694	7322	14906	12049	12298	14664	8460	21820																																					35918	42280	48732	65605	28877	39278	34197	21103	25718	35782	36589	23431	33807	141507	52474	98802	120807	64374	95834	66701	69312	71491	46871	70469	59121	57464																																						100793	55323	55714	79765	37277	48404	41508	48213	54650	57941	53053	29972	34245	23705	213110	225299	141851	153332	201898	267598	235668	181287	286358	309243	262325	109444	90222	74429	95405	99376	244838	249923	289930	334175	135947	263832	273919	479638	395491	575891	224786	86243	87718	73515	86363	93458	15921	14597	24500	23202	28784	31371	15889	20267	28202	22421	27156	35540	23998	15565	32836	21944																	83942	57498	117058	121172	97938	83556	92972	82366	127523	25010	46616	18919	25491	14600	208956	109449	208017	141625	88145	125964	127075	122316	113930	10687	45089	26122	42038	49075
SHIKIMIC ACID																																																												10048	9986	10119	11464	25551	39012	38630	27020	28812	12363	15824	14300	11962	7485	7174	8178	10236	14223	14634	20291	13718	16770	11938	13725	10768	11994
SN-GLYCERO-3-PHOSPHOCHOLINE																																																																																																																											25709	26080	25259	26230	28010	32220	29008	34313	3698	4025	4156	12652	8333	9801																																	22389	29060	38539	28280	31457	35168	41358	26109	35747	26667	48562	36886	38692	48070	34898	56654
STACHYOSE	98535	144488	51657	0	0	131	0	76000	104594	109133	87801	96916	127	0	102	0	0	0	0	0	0	123	0																																																																																																																		5727054	4737409	5003674	6138760	5943588	4770774	5151284	5111866	4376685	4891714	4235608	1181141	1463575	1296996	1190057	1119712	3548062	3568169	3478748	3774124	4330685	4528025	4439064	3617146	4085408	4039490	4232279	1284816	1077939	1201546	1084467	891682	40100	56801	94992	69161	44654	50698	58649	43755	74324	69595	70551	39431	40899	59628	45650	83112																	3670933	3614206	2582527	2976906	3174251	3288842	2810970	2468364	2816351	4483067	2559818	3296234	3166924	2999102	2280067	2480036	2676759	2676886	2409906	2371757	2343659	2558447	2425497	2235828	2052908	2414923	2289674	2380407	22797	30733	32925	33189	44274	43611	40798	49518	37891	35002	30628	31905	47881	42458
SUBERIC ACID																																								25657	7827	18860	20543	16401	5405	9768	15406	16416	35063	19953	19938	11089	17170	17816	20966	27351	33268	13807	18443	5193	5795	6775	6493	15244	12449	14174	15536	13126	9145	6577	5218	3744	5136	6245	1431	5175	10951	26087	31122	9713	23462	10840	13973	11516	10154	20395	17837	11975	20931	16591	17076	15311	14992	8696	17014	11629	15231	20546	7499	5576	6401	8272	3761	4724	4498	444	3695	429	10478	12852	14662	13149	18642	12866	12362	74908	68908	66636	53969	54039	70480	52676																																															104631	108158	158930	136964	158124	143194	184663	146631	145620	106854	150515	62641	145230	94112	146500	121996	599883	573480	620211	577207	540554	429382	518958	493665	281735	552929	534612	532457	454695	469820	458979	234308																													25992	20853	36647	40793	14494	29048	24705	32408	38034	20129	26375	26515	22721	29653	134653	89819	169867	203150	147936	151548	158319	125056	136040	148197	182549	93288	172766	132869
SUBERYL GLYCINE																																																																																																													0	2703	0	0	21342	7547	11703																																																						15120	15310	811	37893	20464	10722	23621	33276	50744	36833	46629	2153	66495	25078	80205	48815																																													15563	14851	18993	22787	22163	24955	13626	17004	24103	24409	18607	20889	20583	20142
SUCRALOSE																																																												14046	12302	13653	12515	29867	54792	31604	50310	44793	10959	10596	11252	11316	12630	9438	10497	9480	33074	36776	35180	30877	38676	8779	9098	10201	9907																																						13285	2803	3920	5098	19532	15422	11031	17415	0	0	0	6903	0	0	16632	17816	16553	17420	14194	14215	15519	15704	17302	15760	14002	20768	21208	22078	20951	21062	11932	14528	11789	13527	11415	11801	12114	10533	12903	13875	11947	12094	13443	15060	15592	16322
SYRINGIC ACID	902	389	0	2849	3701	8871	4604	1190	1243	440	1427	1290	870	6709	3903	4561	3999	5310	5357	6000	6199	4107	9550	6269	6836	10257	10021	10553	11408	12619	9952	21399	2505	12331	15182	15427	17323	12054	17022																																																																						29901	23834	24201	15551	26380	65475	30672																																																						18014	24774	33676	30740	54352	48500	88495	47589	49742	41086	63327	39242	44100	44474	45191	41458
TARTARIC ACID																																																																																																			561	701	0	475	0	810	538	121	409	0
TAURINE	14538	10713	6544	13797	14561	40899	19738	8324	7970	8608	6156	7841	15902	18261	16519	17105	17465	24616	17997	15807	35508	9670	23566	175622	183221	229180	200470	119444	191289	126883	179810	181260	273447	267479	140386	241502	280165	214590	299554																					33075	29956	41976	27231	34188	63648	65609	48221	52158	38279	33804	45035	39800	73673	30981	44523	26885	98359	131547	93754	63036	79378	73327	115879	102928	139748														239095	367641	622008	310837	235401	337003	307584	196156	254067	139591	688692	689410	1000497	1701939	1219149	870398	1478968	82800	85638	171799	168244	105445	127037	100543	101342	21014	19389	20240	26470	29234	40381	26247	110110	55082	67521	107409	26595	45814	99407	114200	51730	78172	59947	114484	113309	47694	50531	81032	66250	223311	172047	135467	212510	160555	186734	122393	444819	281229	92898	226004	132241	203815	189098	216843	197053	234709	221935	242884	326530	193638	2872581	2715525	2835179	2713518	3381645	3068324	3138839	2751866	5029269	3332839	4547046	2744648	3314732	4712631	3833965	5117808	101660	313606	86811	92434	118533	116331	572446	683015	671128	296206	672479	641518	120389	261235	526398	543741															142281	119041	168240	114309	71109	65042	96908	120504	102621	90546	124244	193497	263190	137239	1748694	836266	1566619	1901250	1077540	1010545	1711433	1318541	1472264	1593914	2161394	1276837	1568473	1652725	226312	168442	157488	175776	208610	255052	205095	195253	194355	239767	262169	160421	182995	167897
TAUROCHENODEOXYCHOLIC ACID	16790	12883	8615	14562	30690	17960	44017	5710	12996	15468	17818	10505	10406	16005	12877	25497	7964	15208	6516	11176	6205	9524	30242																	0	0	218	643	0	0	0	14938	8263	24045	194663	1381	30247	1660	0	116055	6641	0	4594	30720	107949	79081	87924	74868	87527	441457	110603	222542	115045	237680	195398	201396	266905	111971	44494	58205	55336	126527	143805	106696	126937	106569	104331	92422	78258	118034																															2945772	2592256	2352748	1004926	36675	38234	226643	109716	23930	39240	34196	176074	90966	117802	101149	525	17709	24337	2988	0	613	215491	228780	114868	128655	821748	603967	506333	231925	161836	197477	612597	710658	1072963	860762	1033810	1301190	180134	201309	78511	197003	395624	284638	406563	205967	235687	297820	118625	289654	399569	264156	267681	262466																	45508	1415226	3970	4027	6882	21707	442123	4344	13247923	8141	24269	6934	11420	275020	18827	10793538	99038	72820	142309	113511	122294	229761	444463	426508	532321	292919	168438	224988	118411	178666	47609	32644	54032	71561	89923	35364	215839	106301	85590	98546	61940	351039	233071	86645															242075	1273	579	442	2924	1247	900	3358	471144	1565	4914	2675	3973	48750
TAUROCHOLIC ACID	126643	82006	67108	117649	181390	339084	503776	60920	84131	89311	150167	102336	242477	226832	99271	169949	60843	342297	121891	276126	104118	180571	386026																	389	840	27433	25064	2701	1901	3775	486395	368067	900331	2947624	21444	980750	51367	2389	2285694	231997	1599	353857	1161473	763688	946978	740810	903303	1075652	3943584	1170461	1509115	1592348	2774872	1791380	1866123	3218650	540058	546943	514943	532615	1148476	1328988	1043341	1049152	1016277	762609	827428	847172	1164723	3545	3182	2632	984729	12311	2356	624062	7694	10299752	29462	6152804	1508576	1936																		19848854	17993740	17227908	11244233	43173	16041	414152	776715	749908	726804	759314	1099718	1295270	1077363	1402962	3832	5575	13066	25115	0	7068	1052872	1044640	905823	909637	2935601	2691703	1414294	1220319	736227	2023140	2060779	2462890	5280567	3955859	4598601	3370154	960012	1055880	731961	721528	973547	1384469	1002168	736522	966581	1069266	728664	801881	1783968	1077781	876030	842299	17073	14800	11887	12129	10355	10817	11337	10368	12012	12579	20061	10463	10260	10158	11149	11171																	881887	731628	696322	798277	742740	1187254	3696503	4037449	5698315	1242534	834719	1503059	884746	1249702	236539	217487	321254	289502	234180	110783	630627	213500	210850	339155	336034	1853601	1021176	469567															2947004	14023	7008	8764	10111	7592	10939	8754	6084435	8994	16919	4144	13516	442289
TAUROLITHOCHOLIC ACID																																																																																																																																																																																									752	5432	1879	282	284	1009	400	950	38821	433	296	356	519	227	726	24926
TAUROURSODEOXYCHOLIC ACID	19268	15093	8343	17758	34923	20096	37252	8289	16696	17025	20331	13587	17455	20592	12821	21949	8446	24188	9552	12440	5295	10696	31987																	0	0	5433	6102	233	0	0	52152	38183	150998	612288	7726	79262	15048	0	480396	30033	0	40957	161553	89807	65999	88519	90467	59340	346669	130363	174233	182358	222347	175583	160513	257035	77671	47404	61756	57727	127901	149486	125701	144595	156996	80743	83692	84234	111007	0	0	0	130974	982	0	76655	764	1936363	2380	649347	85398	0																		3349566	2901914	2611900	1138530	765	2044	13938	83917	34689	55476	51100	134472	83605	115612	141945	206	1255	2023	1665	555	396	162812	158946	148678	162472	511099	367562	263859	285408	283764	318691	918368	469500	754145	555358	797385	1310267	196900	196864	106636	118464	255240	259486	284385	164453	216659	224954	195954	197533	233552	202847	184616	152413																	238788	7520728	7623	8304	13969	142231	2223799	12065	36217492	21115	162579	7667	14329	829410	22101	16567785	111570	125995	121239	141855	148236	238675	547420	705990	913437	275381	187369	240762	182481	195494	86193	51905	72063	76843	125592	62373	198469	210623	119330	98734	121207	564772	353904	191911															307984	0	0	470	977	0	1883	0	718250	375	656	414	352	66593
TERPINEN-4-OL																																																																																																																																																																																									6880	4315	3740	3140	4012	3360	3727	5071	10658	4630	4912	3335	2826	1694	1964	1660
THIOACETIC ACID	193730	217744	127471	134950	341765	174221	280602	182597	254149	235973	333759	209115	202284	346464	148673	311861	186074	319772	198580	187849	177579	132719	341346	108707	94461	124093	152967	125606	120757	163107	126436	142036	94590	131138	133930	110066	128050	94306	133721	19392	26904	30292	28612	24808	34431	36680	31637	37659	63964	54777	32622	45109	33061	65654	75762	66902	96081	76150	52075																											142420	181643	166646	161493	144730	159592	166468	153919	151114	171700	174700	189440	188351	88145	97257	93872	104179	104282	102637	99289	99080	100918	98118								15680	15734	15241	13721	15353	14258	14995	8802	9518	9570	8691	8007	7502	8456	8475	9845	57087	25799	32755	21356	10011	316958	333458	345331	380339	355571	408398	427610	434208	385592	345133	376658	491051	520702	391407	537498	460057	393455	452719	409236	341133	432261	554278	433296	418524	447079	551465	509696	580236	460001	483520	376091	430663
THYMIDINE																																																												24178	23983	16060	11495	6982	7033	7633	5829	7005	5725	995	741	1238	19471	19166	22105	19945	11718	14285	14005	11051	11512	2186	5453	10300	677																																																				116308	73684	71451	100216	65995	53416	71907	58464	65696	64824	52827	12605	552	3599	4188	2561	78108	72173	63370	76568	45526	51343	60540	66170	42367	55130	43265	17894	15468	3025	9615	33232	15726	22321	43827	28924	26129	31029	65717	29710	41801	34789	44418	57722	61938	50271	33388	48920	16755	16540	19246	17641	15554	17322	24274	19276	22972	22675	20129	19081	19309	17689	18440	20974
THYMINE																																																												2173	1130	654	890	15275	30305	16828	13092	11881	5953	4701	3557	6096	2798	1140	822	696	17334	16645	15754	18370	13849	2635	2394	4525	3402																																						2188	1710	2304	1947	1033	1910	1283	926	22226	18655	26428	17712	65136	91450	2929	3537	7647	3110	7637	4369	4007	8778	9310	6362	4728	74293	35845	39135	29759	27428	8820	6571	4953	5904	3708	6693	11654	3276	2946	7767	6367	34669	24855	21389	28753	25842	73213	133604	120758	121201	173904	210005	234619	155506	169959	141814	183160	150672	193490	171936	170101	143244	92624	75079	96119	91401	98676	112994	107922	71497	126620	73740	67678	53450	61669	52004	91675	89063
TIGLYL GLYCINE																								58144	26321	70170	80069	78813	68325	73393	48247	90724	22266	88906	95300	94047	95033	61886	68601																																																												68256	44250	109581	77349	61823	56166	33647	66900	61195	37498	75735	73573	83972	117925	54614	72793	57026																																																																																																																		131570	126821	207044	282532	444613	407876	165620	130830	227522	182605	157330	184081	145093	180486	8880	16262	15007	16235	16999	14878	13709	15956	18341	11861	18376	12928	10287	12284
TRICARBALLYLIC ACID																																								11116	6778	12919	10490	10581	7946	12843	11654	11140	12810	7572	9972	22525	7245	8966	9801	8619	10472	8934	12359																											14105	13138	11605	12816	11795	9225	8499	8780	9114	9036	9555	10427	10545																		22498	25508	26521	30943	10471	6280	17917	38807	38577	34014	40438	41434	35423	29868	39502	69713	63866	61856	70805	73953	53386	173262	212822	182027	163719	228697	239025	262686	263245	245150	274073	202584	202866	209765	326079	271257	217811	218599	220293	155859	175988	287922	255707	269252	218221	278107	255399	214155	223692	282499	376820	345992	242637																	762128	520651	705334	546767	713175	728126	833185	598856	560045	521366	567911	557642	493639	598955	455714	343065
TRIDECANOIC ACID	948202	1158331	1119055	949272	1300650	591883	594036	1311254	1803758	1836704	1997295	1608012	1449143	2288367	1344597	1638212	1456712	1507193	1875004	1473777	1306066	1227621	1863958	53488	52235	65412	42884	70808	59354	37200	47222	106980	113358	137130	106810	137575	183170	335920	77228	708613	770674	843528	792630	663729	1025784	865407	791170	672639	984346	1007653	671650	899365	683373	1104186	1187403	1215663	1193134	1021965	790297	42713356	42386208	43989828	42759944	39782704	36769120	44663168	37247464	41088808	44186900	43376136	43027364	40766320	42450656	46633360	46070888	47454796	44758428	44227784	43420332	44586252	44500500	42165396	40842964	42824472	39914004	2288056	2348042	2513690	2577246	2504263	3023418	3064807	2365338	2507511	2453598	2387087	2469976	2512584	315904	254442	521461	203471	307582	197864	301962	169085	384916	220620	495328	410055	692993	1683034	3763755	4581028	4288490	7048852	6003544	5738276	6090736	6187165	6172056	6100348	2334733	2291501	2488275	2101672	1181333	1459635	1686359	1435304	1066071	1779417	1292225	480649	1385205	515620	7719288	7880878	8638973	5180024	8552662	9918892	9480718	10018708	5158826	4976532	10577534	6560870	7094206	6267790	4801908	5320316	13565705	7383648	12159289	9988883	7776713	11671017	10397409	17506224	13133846	11862532	13304779	11678767	12868488	13783936	13792877	14308631	3819694	4627094	7304444	4023424	6021430	8704316	11062773	10834652	7371082	10281844	11907227	4202720	8943498	7455178	8134844	7332560	29486050	27980888	28735014	29387898	29656550	30173582	29185654	29663968	29804412	29372362	29824756	29108110	29496486	27821170	28388186	26819148	2389094	2408043	3007096	2707873	2137890	2414893	2535819	3272073	5799065	1413558	2941858	2551376	2096448	1917832	2676682	2905411	2849162	3230844	3020602	3450704	3549440	2758878	3196870	2944359	3663777	3044610	2759800	2905871	481151	619251	441302	422300	1337784	1292026	1078505	916763	827702	418377	2021064	988227	1127596	1643709	5433776	5898752	6212206	6631934	6195028	6263988	6158712	6192942	6193212	6530156	6480862	6252082	6470626	6385667
TRYPTOPHAN	57661	44176	17519	42302	44266	30230	61988	27238	46116	35549	42409	48588	31177	50809	24574	23789	16790	36926	30231	24059	29500	17131	76628																	325635	255527	230153	418098	269501	150111	218168	274172	300025	431125	359545	241172	339326	300293	331056	435687	537447	426187	353480	253644	171948	215704	166747	164582	88530	177671	161840	142752	82730	128075	129086	65178	77194	719542	304666	383858	526468	394065	592115	410493	410247	490957	240841	390175	323472	326841	364886	386100	345775	376879	347368	411012	510961	444495	294017	289486	275512	375460	326689																		984763	880455	929653	803064	740605	457354	772517	498994	167845	207755	314045	150958	166505	180145	154372	153108	186198	147264	122934	97906	64200	667268	1153423	902334	630430	1206293	1465536	1208987	1463771	1925703	2274221	1734663	1489794	1889365	1496215	1551330	1169103	1138823	2046152	1463301	1609568	1217030	2293986	2107052	2827922	2987098	3089966	1855872	1989446	1735470	1131340	1697666	1631611	16861	20286	33703	26503	47096	42786	66831	47840	49813	40299	53555	33208	49492	45463	52938	33952	4485326	3981700	4510580	4700142	3261331	3516006	4048986	4604638	2186489	5097952	4273500	2515313	3408523	3057579	4478234	3465920	421716	334452	431190	482276	956402	717836	843807	835089	1189012	460878	688491	490021	604058	676081	870800	627900	854167	871123	1049574	1312842	1183153	1174387	1163454	822034	1272036	1128577	1339167	1477701															2369808	2486620	2694262	2151230	2133682	1994761	2285849	2262434	2273938	2016863	2147579	2333584	2054918	2150559
TRYPTOPHAN-2,4,5,6,7-D5	57168	83142	70022	54746	66712	45274	94318	56786	81822	85037	86486	73553	49442	63676	56767	54449	63910	74883	81111	49043	60729	53728	65606	70961	71990	79797	81840	68324	68905	85996	77252	80733	74290	83299	72296	70102	70652	71570	75192	86259	99455	102590	96852	86904	114011	104706	93751	90956	124421	123427	86949	100307	88485	136543	131641	140433	144548	121773	94075	506543	512256	510265	526435	547892	506885	518159	523469	558524	427449	366010	429048	432812	462168	482730	482875	488388	508627	472592	491736	490395	495437	504092	481728	496276	469881	91651	93786	97680	98682	96802	117781	128112	103694	100886	101103	98577	97292	101690	82958	82891	78622	77137	77253	79126	79252	80728	76218	81874	364220	357447	361795	368017	320579	280066	329427	394344	384235	389111	403746	376651	378463	386592	263128	292389	277906	261847	261523	264347	268876	269420	217365	266495	261138	53492	262656	257881	958334	921628	906590	890650	954725	1007659	957210	942549	894650	811447	975828	832054	884804	859470	806183	878996	871235	886791	875380	866716	830844	903842	873108	928689	936489	933491	1016407	865141	900975	883889	833117	935831	1298692	1277316	1244159	1262948	1248569	1243673	1206996	1241099	1171690	1254325	1181529	1220817	1225194	1185308	1148596	1171630	1237718	1226166	1214460	1234701	1239374	1255446	1211034	1239172	1241063	1408266	1382988	1348743	1150127	1318536	1324665	1315807	433962	420355	464096	428792	406106	434562	437399	449663	424111	365189	412130	434956	416648	360592	456701	466624	436829	459439	429576	445126	453372	430177	435889	469016	437669	413770	427117	421087	699389	687667	658082	658550	486135	491202	647227	667742	623941	641735	634578	647987	634386	636881	682476	667792	684387	684250	691702	672134	693370	684870	662077	683491	672409	676342	694005	681408
TYROSINE																																								46837	81771	38913	97858	76801	51541	59556	95907	91189	114619	98886	80605	119297	45770	93632	87044	138622	88944	110733	58640																																																									333286	259252	205681	198506	250151	270292	239986	289938	128160	225668	335031	164782	189879	184385	189848	260354	494299	358262	343998	323321	164053	308906	552432	419527	426367	539267	582364	503661	652684	786994	865017	768121	140199	127179	139955	135604	145524	417053	878773	716172	632298	358389	669847	576214	944265	801116	879146	552226	310581	262016	154646	221315	298598																	884036	897396	805594	892153	740019	797348	785895	990544	956392	1059919	920506	548647	620775	686216	916006	898657
URACIL																								25234	16196	22971	12896	9363	11764	13121	8294	10937	8078	26206	15547	19345	28386	15815	22373																																																												22014	27622	19951	19221	20825	10702	12803	9521	9664	5351															8415	2183	1847	2546	1798	3340	3417	1800	68404	127243	131866	48320	136426	165792	22317	35985	18566	21351	25653	26348	19922	27990	26846	35831	15325	47252	44360	40390	53764	33650																																	162582	130595	143740	140572	157054	133759	152715	146500	132581	123729	167023	137575	138893	160971	144938	159909																													57277	50938	78562	82047	138088	118998	77072	77917	104246	106994	97973	95014	96962	95676
URIC ACID																								31717	33214	41295	22667	17397	20366	25081	13252	35109	101247	30988	27397	25672	41697	21046	37466	15657	28019	36870	23954	22008	16732	34278	15940	20792	22255	27913	24770	19873	20086	14795	30773	27337	24291	18861	20268	21309	41149	15626	14926	22234	15778	16705	19122	18850	14729	19601	17502	16758	31685	29640	19247	37510	11800	10684	11723	12158	12610	17521	12545	14559	13098	19520	17115	34081	33498	32359	26067	38082	30052	28194	31641	24919	32896	24626	32374	35226	59139	45041	35222	26988	36341	14971	27759	15091	44371	53775	38910	150651	69597	109751	72760	162680	89901	113483	178947	36879	119	40713															48198	52606	52882	57925	50129	4316	2200	1407	5491	3382	2878	101856	78913	66129	73866	59133																	125879	278274	598754	269845	340537	411139	627482	388622	578176	318718	407285	492301	628757	771932	689411	591365																															15140	50798	103761	42428	70641	126768	85720	95451	28795	32957	14358	23441	25956	27512	117111	99255	174586	183125	379492	398604	155444	140515	217063	205161	175781	146249	135570	165554	164486	100456	174535	278563	342186	346311	315813	379734	396388	229968	295492	208025	325632	283626
URIDINE																																																												27577	18877	21540	23501	6928	8925	8702	8402	8001	2149	188	2099	1593	33827	14114	21736	25787	7510	14059	8711	10608	12415	1345	4328	3014	2896																															24895	21333	20289	14516	13047	10186	8877	26823	9934	10084	14092	20308	15309	16717	19698	6027	13524	10854	4495	14955	21851	39555	43269	32261	55388	39537	33728	33064	37578	39477	40322	27963	9587	5074	6535	8518	13524	35635	49019	33657	48034	23631	31986	42630	33395	43882	41871	31654	8051	5962	4171	5087	3255																	96994	112859	88564	76391	88736	77367	75894	89253	85529	91350	95972	69370	65249	90972	69686	92919																																											30086	25618	23379	35152	34520	33893	29135	34851	47777	32407	28662	33406	31296	29952
URSOCHOLIC ACID																																																																																																																											2062	1658	1930	2039	2150	2995	2907	2477	857400	2223158	2487948	364373	3326280	2355690
VALINE																																																																																																																											380906	250936	113999	228718	84939	99924	106318	80896	408522	244051	426163	317046	192058	86407
VALPROIC ACID																																																																																																																																																																																									24115	23154	13833	22755	20241	24243	26820	27488	21733	19466	25276	19442	22742	17945	18603	19361
VANILLIN																																																																																																													12336	13043	11786	8167	6795	12136	8162																																																																																																																		16137	1337	2685	23874	47633	60299	31502	36196	41594	19005	18409	20387	18981	14017
XANTHINE																								530	618	8	7066	5624	7880	7986	3470	3837	1458	0	1382	0	0	145	175																					25953	19560	25814	17704	32794	83151	15052	13585	33966	6101	6033	11701	3463	36759	20813	21566	19880	25670	42446	31092	29006	25344	10704	10628	5822	11175																								24527	23152	29968	18290	73709	40183	44870	16390	17991	17353	7762	25998	20492	12328	15861	7958	12233	9603	12607	11265	10913	12681	71242	80564	88402	13859	157741	134548	73893	99683	79283	97539	73113	53190	70564	57585	69712	32474	49529	169802	93216	65370	72904	78378
XANTHOSINE																																																																																																													7009	7356	6957	6799	1736	1517	861
XANTHURENIC ACID																								74247	55210	95175	97247	48385	60266	51478	37609	119329	23993	78014	69688	56466	79987	54976	67338																																																												50297	91531	83220	106355	87282	65546	94525	53706	139294	79864	241794	240396	419136	385755	20981	335450	232648								775	775	642	1910	1034	758	938	886	6538	6408	6801	19497	3869	3527																																																																																													206269	190981	306719	397158	944728	969798	207370	227839	356092	339808	405103	283105	250438	507168
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	quantitated m/z	retention times	adduct	PubChem_CID
O-PHOSPHO-SERINE	184.0016476	0.727	[M-H]-	106, 68841
N-ACETYLTRYPTOPHAN	245.0931663	2.981	[M-H]-	2002, 439917
5-HYDROXYINDOLE	132.0454878	2.904	[M-H]-	16054
ASCORBIC ACID, GLUCURONOLACTONE	175.024812	0.781	[M-H]-	92283, 54670067
GLUTAMIC ACID	146.0458818	0.758	[M-H]-	33032
4-HYDROXYPHENYL ACETIC ACID, MANDELIC ACID	151.0400681	1.46	[M-H]-	127, 11914, 439616
GALACTITOL, MANNITOL	181.0717622	0.822	[M-H]-	6251, 11850
PROLINE	114.0560525	0.877	[M-H]-	8988, 145742
3,4-DIHYDROXYPHENYLACETIC ACID, 3-HYDROXYMANDELIC ACID, 4-HYDROXYMANDELIC ACID, VANILLIC ACID	167.0349827	0.878	[M-H]-	328, 547, 8468, 86957
2-HYDROXYBUTYRIC ACID, 3-HYDROXYBUTYRIC ACID, 3-HYDROXYISOBUTYRIC ACID	103.0400681	0.86	[M-H]-	441, 92135, 440864, 11217234
3-METHYLADIPIC ACID, PIMELIC ACID	159.0662829	0.764	[M-H]-	385, 12292
3-PHENYLLACTIC ACID	165.0557182	2.424	[M-H]-	444718, 643327
CHENODEOXYCHOLIC ACID, DEOXYCHOLIC ACID	391.2853838	5.581	[M-H]-	10133, 222528
ALPHA-GALACTOSE 1-PHOSPHATE, MANNOSE 6-PHOSPHATE	259.0224426	0.744	[M-H]-	65127, 123912
PYROGLUTAMIC ACID	128.0353171	0.849	[M-H]-	499, 7405, 439685
4-HYDROXYPROLINE, 5-AMINOLEVULINIC ACID	130.0509672	0.813	[M-H]-	137, 825, 5810, 69248, 440014
FRUCTOSE 6-PHOSPHATE, GLUCOSE-6-PHOSPHATE	259.0224426	0.727	[M-H]-	69507, 439958
ALANINE, SARCOSINE	88.04040247	0.782	[M-H]-	1088, 5950, 71080
ASPARTIC ACID	132.0302317	0.757	[M-H]-	5960, 83887
LEUCINE, NORLEUCINE	130.0873527	1.586	[M-H]-	857, 6106, 21236
MALIC ACID	133.0142473	0.722	[M-H]-	525, 92824, 222656
LACTIC ACID	89.02441805	0.786	[M-H]-	61503, 107689
2-AMINO-2-METHYLPROPANOIC ACID, 2-AMINOBUTYRIC ACID, 3-AMINOISOBUTANOIC ACID, ALPHA-AMINOBUTYRIC ACID, N,N-DIMETHYLGLYCINE	102.0560525	0.839	[M-H]-	673, 6119, 6657, 64956, 439691
MALTOTRIOSE, RAFFINOSE	503.1617589	0.879	[M-H]-	10542, 439586
5-AMINOPENTANOIC ACID, BETAINE	116.0717026	0.762	[M-H]-	138, 247
ALPHA-RHAMNOSE, FUCOSE	163.0611975	0.876	[M-H]-	25310, 3034656
CITRIC ACID, ISOCITRIC ACID	191.0197266	0.702	[M-H]-	311, 1198
TARTARIC ACID	149.0091619	0.737	[M-H]-	439655, 444305
NICOTINIC ACID, PICOLINIC ACID	122.0247524	1.295	[M-H]-	938, 1018
3-HYDROXYGLUTARIC ACID, ALPHA-HYDROXYGLUTARIC ACID, CITRAMALIC ACID	147.0298974	0.728	[M-H]-	1081, 181976, 439939
ALLOSE, ALPHA-GLUCOSE, FRUCTOSE, GALACTOSE, GLUCOSE, GULOSE, MANNOSE, MYO-INOSITOL, PSICOSE, SORBOSE, TAGATOSE	179.0561121	0.846	[M-H]-	892, 5793, 6036, 6904, 18950, 79025, 439192, 439312, 439507, 441036, 2723872, 10130220
ARABINOSE, LYXOSE, RIBOSE, XYLOSE	149.0455474	0.852	[M-H]-	229, 5779, 66308, 135191, 439195, 439240, 10975657
ARABITOL, XYLITOL	151.0611975	0.839	[M-H]-	827, 6912, 439255
ERYTHRITOL, THREITOL	121.0506328	0.852	[M-H]-	169019, 222285
2-METHYLMALEIC ACID, ITACONIC ACID	129.0193327	0.748	[M-H]-	811, 643798
METHYLMALONIC ACID, SUCCINIC ACID	117.0193327	0.731	[M-H]-	487, 1110
3,4-DIHYDROXYBENZOATE, 3,5-DIHYDROXYBENZOIC ACID	153.0193327	0.867	[M-H]-	72, 7424
ACONITIC ACID	173.0091619	0.702	[M-H]-	444212, 643757
ALLO-ISOLEUCINE, ISOLEUCINE	130.0873527	1.452	[M-H]-	6306, 99288
ORNITHINE	131.0826016	0.844	[M-H]-	6262, 71082
3-AMINO-4-HYDROXYBENZOIC ACID, 3-AMINO-5-HYDROXYBENZOIC ACID	152.0353171	0.853	[M-H]-	65083, 127115
2-HYDROXYHEXANEDIOIC ACID, 3-HYDROXY-3-METHYLGLUTARIC ACID	161.0455474	0.733	[M-H]-	1662, 193530
2'-DEOXYGUANOSINE 5'-MONOPHOSPHATE, ADENOSINE 5'-MONOPHOSPHATE	346.0558084	0.881	[M-H]-	6083, 135398597
ALLOTHREONINE, HOMOSERINE	118.0509672	0.812	[M-H]-	12647, 99289
GLUCURONIC ACID	193.0353767	0.761	[M-H]-	94715, 444791
FUMARIC ACID, MALEIC ACID	115.0036826	0.731	[M-H]-	444266, 444972
8-HYDROXYQUINOLINE, INDOLE-3-CARBOXALDEHYDE	144.0454878	4.039	[M-H]-	1923, 10256
CELLOBIOSE, LACTULOSE, MALTOSE, MELIBIOSE, PALATINOSE, SUCROSE, TURANOSE	341.1089355	0.878	[M-H]-	5988, 6255, 10712, 11333, 439178, 439186, 439559, 440658, 5460935
2-HYDROXY-3-METHYLPENTANOIC ACID, 2-HYDROXY-4-METHYLPENTANOIC ACID	131.0713682	1.926	[M-H]-	83697, 92779, 10796774
3-UREIDOPROPIONATE, ASPARAGINE, GLYCYL-GLYCINE	131.0462161	0.79	[M-H]-	111, 6267, 11163
4-AMINOBENZOIC ACID, TRIGONELLINE	136.0404025	0.875	[M-H]-	978, 5570
GALACTARIC ACID, SACCHARIC ACID	209.0302913	0.73	[M-H]-	33037, 3037582
ALPHA-AMINOADIPIC ACID, AMINOADIPIC ACID, N-METHYL-GLUTAMATE	160.0615318	0.761	[M-H]-	469, 92136, 439377
ETHYLMALONIC ACID, GLUTARIC ACID, METHYLSUCCINIC ACID	131.0349827	0.734	[M-H]-	743, 10349, 11756
THIOACETIC ACID	74.99100975	1.914	[M-H]-	10484
DIACETYL	85.02950343	0.758	[M-H]-	650
PYRUVIC ACID	87.00876799	0.733	[M-H]-	1060
BETA-ALANINE	88.04040247	0.863	[M-H]-	239
1-AMINOCYCLOPROPANE-1-CARBOXYLIC ACID	100.0404025	0.829	[M-H]-	535
4-AMINOBUTANOIC ACID	102.0560525	0.802	[M-H]-	119
MALONIC ACID	103.0036826	0.731	[M-H]-	867
SERINE	104.0353171	0.794	[M-H]-	5951
GLYCERIC ACID	105.0193327	0.771	[M-H]-	439194
BENZALDEHYDE	105.0345888	3.155	[M-H]-	240
BENZYL ALCOHOL	107.0502389	3.158	[M-H]-	244
CATECHOL	109.0295034	2.837	[M-H]-	289
3-FUROIC ACID	111.008768	0.905	[M-H]-	10268
URACIL	111.0200014	0.9	[M-H]-	1174
CREATININE	112.0516359	0.886	[M-H]-	588
MALEAMIC ACID	114.019667	0.828	[M-H]-	5280451
LEVULINIC ACID	115.0400681	0.879	[M-H]-	11579
4-METHYLVALERIC ACID	115.0764536	2.949	[M-H]-	12587
N-ACETYLGLYCINE	116.0353171	0.847	[M-H]-	10972
GUANIDINEACETIC ACID	116.0465505	0.826	[M-H]-	763
INDOLE	116.0505732	4.768	[M-H]-	798
NORVALINE	116.0717026	0.921	[M-H]-	65098
VALINE	116.0717026	0.895	[M-H]-	6287
3-HYDROXYISOVALERIC ACID	117.0557182	1.264	[M-H]-	69362
AMINOMALONIC ACID	118.0145816	0.753	[M-H]-	100714
2,4-DIHYDROXYBUTANOIC ACID	119.0349827	0.785	[M-H]-	192742
CYSTEINE	120.0124735	0.806	[M-H]-	5862
4-HYDROXYBENZALDEHYDE	121.0295034	2.421	[M-H]-	126
NICOTINAMIDE	121.0407368	1.88	[M-H]-	936
3-HYDROXYBENZYL ALCOHOL	123.0451535	2.808	[M-H]-	102
TAURINE	124.0073881	0.793	[M-H]-	1123
(2-AMINOETHYL)PHOSPHONATE	124.0169038	0.769	[M-H]-	339
ISETHIONIC ACID	124.9914037	0.777	[M-H]-	7866
PYROGALLOL	125.0244181	1.856	[M-H]-	1057
4-IMIDAZOLEACETIC ACID	125.0356514	0.868	[M-H]-	96215
THYMINE	125.0356514	1.796	[M-H]-	1135
PIPECOLIC ACID	128.0717026	0.889	[M-H]-	439227
HEPTANOIC ACID	129.0921037	4.15	[M-H]-	8094
N-ACETYL-ALANINE	130.0509672	0.887	[M-H]-	88064
CREATINE	130.0622005	0.872	[M-H]-	586
3-HYDROXYINDOLE	132.0454878	3.748	[M-H]-	50591
HOMOCYSTEINE	134.0281235	0.778	[M-H]-	778
ADENINE	134.0472192	1.805	[M-H]-	190
PHENYLACETIC ACID	135.0451535	1.535	[M-H]-	999
4-HYDROXYBENZOIC ACID	137.0244181	0.89	[M-H]-	135
6-HYDROXYNICOTINIC ACID	138.019667	0.864	[M-H]-	72924
PHOSPHONOACETIC ACID	138.9801839	0.746	[M-H]-	546
ETHANOLAMINE PHOSPHATE	140.0118184	0.771	[M-H]-	1015
5-HYDROXYMETHYL-2-FURANCARBOXYLIC ACID	141.0193327	0.881	[M-H]-	80642
3-METHYLGLUTACONIC ACID	143.0349827	0.753	[M-H]-	1551553
4-HYDROXYCYCLOHEXANECARBOXYLIC ACID	143.0713682	0.827	[M-H]-	151138
CAPRYLIC ACID	143.1077538	4.796	[M-H]-	379
VALPROIC ACID	143.1077538	4.333	[M-H]-	3121
N-BUTYRYLGLYCINE	144.0666172	1.623	[M-H]-	88412
4-ACETAMIDOBUTANOIC ACID	144.0666172	0.887	[M-H]-	18189
4-GUANIDINOBUTANOIC ACID	144.0778506	0.878	[M-H]-	500
ALPHA-KETOGLUTARIC ACID	145.0142473	0.731	[M-H]-	51
GLUTAMINE	145.0618662	0.81	[M-H]-	5961
LYSINE	145.0982517	0.855	[M-H]-	5962
N-ACETYL-SERINE	146.0458818	0.83	[M-H]-	352294
METHIONINE	148.0437736	1.213	[M-H]-	6137
ARABINOSE	149.0455474	0.765	[M-H]-	66308
4-ACETAMIDOPHENOL	150.0560525	2.49	[M-H]-	1983
XANTHINE	151.0261494	0.897	[M-H]-	1188
2-HYDROXYPHENYLACETIC ACID	151.0400681	2.406	[M-H]-	11970
4-HYDROXYPHENYL ACETIC ACID	151.0400681	0.912	[M-H]-	127
VANILLIN	151.0400681	2.667	[M-H]-	1183
3-SULFINO-ALANINE	152.0023027	0.769	[M-H]-	1549098
3-HYDROXYANTHRANILIC ACID	152.0353171	0.894	[M-H]-	86
2,6-DIHYDROXYBENZOIC ACID	153.0193327	2.923	[M-H]-	9338
TERPINEN-4-OL	153.1284892	5.427	[M-H]-	11230
HISTIDINE	154.0622005	0.865	[M-H]-	6274
OROTIC ACID	155.0098306	0.868	[M-H]-	967
2,4-DIHYDROXYPYRIMIDINE-5-CARBOXYLIC ACID	155.0098306	0.77	[M-H]-	90301
TIGLYL GLYCINE	156.0666172	1.948	[M-H]-	6441567
DIHYDROOROTIC ACID	157.0254807	0.847	[M-H]-	439216
ALLANTOIN	157.0367141	0.827	[M-H]-	204
2-METHYLBUTYRYLGLYCINE	158.0822673	1.959	[M-H]-	193872
ISOVALERYLGLYCINE	158.0822673	2.197	[M-H]-	546304
2-OXOADIPATE	159.0298974	0.74	[M-H]-	71
1,6-ANHYDRO-B-GLUCOSE	161.0455474	0.871	[M-H]-	2724705
N-ACETYL-CYSTEINE	162.0230382	0.906	[M-H]-	12035
2-DEOXY-GLUCOSE	163.0611975	0.822	[M-H]-	439268
1,5-ANHYDRO-GLUCITOL	163.0611975	0.88	[M-H]-	64960
PHENYLALANINE	164.0717026	2.018	[M-H]-	6140
PHTHALIC ACID	165.0193327	0.771	[M-H]-	1017
3-(2-HYDROXYPHENYL)PROPANOIC ACID	165.0557182	2.913	[M-H]-	873
3-(3-HYDROXYPHENYL)PROPIONIC ACID	165.0557182	2.254	[M-H]-	91
PHOSPHO(ENOL)PYRUVIC ACID	166.9750985	0.711	[M-H]-	1005
URIC ACID	167.021064	0.876	[M-H]-	1175
CYSTEIC ACID	167.9972173	0.747	[M-H]-	25701
N-(2-FUROYL)GLYCINE	168.0302317	1.646	[M-H]-	21863
GALLIC ACID	169.0142473	0.774	[M-H]-	370
GLYCEROL 2-PHOSPHATE	171.0063986	0.738	[M-H]-	2526
3-DEHYDROSHIKIMIC ACID	171.0298974	0.81	[M-H]-	439774
DECANOIC ACID	171.1390539	5.395	[M-H]-	2969
4-ETHYLOCTANOIC ACID	171.1390539	5.349	[M-H]-	61840
N-ACETYL-LEUCINE	172.0979173	2.724	[M-H]-	70912
HEXANOYLGLYCINE	172.0979173	3.235	[M-H]-	99463
DEHYDROASCORBIC ACID	173.0091619	0.885	[M-H]-	440667
SHIKIMIC ACID	173.0455474	0.779	[M-H]-	8742
N-ALPHA-ACETYL-ASPARAGINE	173.0567808	0.837	[M-H]-	99715
SUBERIC ACID	173.0819329	0.878	[M-H]-	10457
ARGININE	173.1043997	0.889	[M-H]-	6322
N-ACETYL-ASPARTIC ACID	174.0407964	0.733	[M-H]-	65065
N-AMIDINO-ASPARTIC ACID	174.0520298	0.77	[M-H]-	439918
CITRULLINE	174.0884153	0.831	[M-H]-	9750
TRICARBALLYLIC ACID	175.024812	0.692	[M-H]-	14925
2-ISOPROPYLMALIC ACID	175.0611975	0.825	[M-H]-	5280523
N-FORMYL-METHIONINE	176.0386882	1.72	[M-H]-	6995182
CYS-GLY	177.0339372	0.883	[M-H]-	439498
GULONIC ACID GAMMA-LACTONE	177.040462	0.861	[M-H]-	439373
HIPPURIC ACID	178.0509672	2.366	[M-H]-	464
GLUCOSAMINE	178.0720965	0.844	[M-H]-	439213
3-(4-HYDROXYPHENYL)PYRUVIC ACID	179.0349827	1.805	[M-H]-	979
METHIONINE SULFOXIMINE	179.0495873	0.809	[M-H]-	89034
TYROSINE	180.0666172	1.397	[M-H]-	6057
METHYL VANILLATE	181.0506328	4.197	[M-H]-	19844
HYDROXYPHENYLLACTIC ACID	181.0506328	1.527	[M-H]-	9378
4-PYRIDOXIC ACID	182.0458818	2.481	[M-H]-	6723
3,4-DIHYDROXYMANDELIC ACID	183.0298974	0.82	[M-H]-	85782
2-PHOSPHOGLYCERIC ACID	184.9856632	0.71	[M-H]-	59
3-PHOSPHOGLYCERIC ACID	184.9856632	0.715	[M-H]-	724
ALPHA-N-ACETYL-GLUTAMINE	187.0724309	0.873	[M-H]-	25561
N-ALPHA-ACETYL-LYSINE	187.1088164	0.878	[M-H]-	192590
KYNURENIC ACID	188.0353171	2.476	[M-H]-	3845
N-ACETYL-GLUTAMIC ACID	188.0564465	0.756	[M-H]-	185
METHYL INDOLE-3-ACETATE	188.0717026	4.883	[M-H]-	74706
INDOLEPROPIONIC ACID	188.0717026	3.119	[M-H]-	3744
N-ACETYL-METHIONINE	190.0543383	1.896	[M-H]-	6180
QUINIC ACID	191.0561121	0.781	[M-H]-	6508
PHENYLACETYLGLYCINE	192.0666172	2.737	[M-H]-	68144
FERULIC ACID	193.0506328	1.887	[M-H]-	445858
METHYL BETA-GALACTOSIDE	193.0717622	0.882	[M-H]-	94214
O-HYDROXYHIPPURIC ACID	194.0458818	2.523	[M-H]-	10253
M-HYDROXYHIPPURIC ACID	194.0458818	1.847	[M-H]-	450268
GLUCONIC ACID	195.0510267	0.772	[M-H]-	10690
SYRINGIC ACID	197.0455474	1.536	[M-H]-	10742
4-HYDROXY-3-METHOXYMANDELIC ACID	197.0455474	0.892	[M-H]-	1245
CAPRYLOYL GLYCINE	200.1292175	4.737	[M-H]-	84290
SEBACIC ACID	201.1132331	1.859	[M-H]-	5192
INDOLEPYRUVIC ACID	202.0509672	2.905	[M-H]-	803
TRYPTOPHAN	203.0826016	2.576	[M-H]-	6305
XANTHURENIC ACID	204.0302317	1.739	[M-H]-	5699
N-(CINNAMOYL)GLYCINE	204.0666172	3.441	[M-H]-	709625
INDOLELACTIC ACID	204.0666172	2.582	[M-H]-	92904
N-ACETYL-PHENYLALANINE	206.0822673	2.975	[M-H]-	74839
N-(3-PHENYLPROPIONYL)GLYCINE	206.0822673	3.354	[M-H]-	152323
CREATINE PHOSPHATE	210.0285311	0.737	[M-H]-	9548602
INDOXYL SULFATE	212.002324	2.551	[M-H]-	10258
DETHIOBIOTIN	213.1244664	2.648	[M-H]-	445027
5-SULFOSALICYLIC ACID	216.9812329	0.827	[M-H]-	7322
O-SUCCINYL-HOMOSERINE	218.0670111	0.836	[M-H]-	439406
PANTOTHENIC ACID	218.1033966	1.673	[M-H]-	6613
BUTYLATED HYDROXYTOLUENE	219.1754394	6.315	[M-H]-	31404
BETA-N-ACETYLGLUCOSAMINE	256.0593392	0.862	[M+Cl]-	24139
CYSTATHIONINE	221.0601519	0.782	[M-H]-	439258
3-NITRO-TYROSINE	225.0516954	0.886	[M-H]-	65124
CARNOSINE	225.0993143	0.875	[M-H]-	439224
DEOXYURIDINE	227.0673455	1.738	[M-H]-	13712
RIBOSE 5-PHOSPHATE	229.0118779	0.728	[M-H]-	439167
SUBERYL GLYCINE	230.1033966	0.878	[M-H]-	6453952
THYMIDINE	241.0829956	2.222	[M-H]-	5789
PENTANEDECANOIC ACID	241.2173042	5.833	[M-H]-	13849
URIDINE	243.0622601	1.592	[M-H]-	6029
PALMITIC ACID	255.2329543	6.081	[M-H]-	985
SN-GLYCERO-3-PHOSPHOCHOLINE	256.095548	0.813	[M-H]-	657272
GLUCOSAMINE 6-SULFATE	258.0289114	0.772	[M-H]-	72361
GLUCOSAMINE 6-PHOSPHATE	258.038427	0.76	[M-H]-	440997
HOMOVANILLIC ACID SULFATE	261.0074477	0.888	[M-H]-	29981063
PHENYLACETYL-GLUTAMINE	263.103731	2.603	[M-H]-	92258
INOSINE	267.0734935	1.76	[M-H]-	135398641
ALPHA-ARBUTIN	271.0823269	1.714	[M-H]-	346
6-PHOSPHOGLUCONIC ACID	275.0173572	0.706	[M-H]-	91493
ASP-PHE	279.0986456	1.721	[M-H]-	93078
LINOLEIC ACID	279.2329543	5.966	[M-H]-	5280450
PETROSELINIC ACID	281.2486043	6.213	[M-H]-	5281125
GUANOSINE	282.0843925	1.78	[M-H]-	135398635
XANTHOSINE	283.0684081	0.878	[M-H]-	64959
P-CRESOL GLUCURONIDE	283.0823269	2.728	[M-H]-	154035
OPHTHALMIC ACID	288.1201093	0.879	[M-H]-	7018721
CATECHIN	289.0717622	2.751	[M-H]-	9064
ANDROSTERONE	289.2173042	5.728	[M-H]-	5879
N-ACETYLMURAMIC ACID	292.1037906	0.883	[M-H]-	5462244
RETINOIC ACID	299.2016541	5.716	[M-H]-	444795
2'-DEOXYURIDINE 5'-MONOPHOSPHATE	307.033676	0.829	[M-H]-	65063
N-ACETYLNEURAMINATE	308.0987052	0.818	[M-H]-	439197
ADENOSINE 2',3'-CYCLIC MONOPHOSPHATE	328.0452438	1.893	[M-H]-	101812
ADENOSINE 3',5'-CYCLIC MONOPHOSPHATE	328.0452438	2.227	[M-H]-	6076
5-AMINOIMIDAZOLE-4-CARBOXAMIDE-1-BETA-RIBOFURANOSYL 5'-MONOPHOSPHATE	337.0554741	0.779	[M-H]-	65110
BETA-LACTOSE	341.1089355	0.842	[M-H]-	6134
LAUROYLCARNITINE	342.2649827	5.856	[M-H]-	168381
CORTICOSTERONE	345.2071334	5.295	[M-H]-	5753
REICHSTEIN'S SUBSTANCE S	345.2071334	5.317	[M-H]-	440707
SUCRALOSE	395.0072746	3.478	[M-H]-	5066234
URSOCHOLIC ACID	407.2802984	4.999	[M-H]-	122340
CHOLIC ACID	407.2802984	5.444	[M-H]-	221493
ADENOSINE 3',5'-DIPHOSPHATE	426.022139	0.72	[M-H]-	159296
GLYCOCHENODEOXYCHOLIC ACID	448.3068475	5.533	[M-H]-	12544
TAUROLITHOCHOLIC ACID	482.2945685	5.648	[M-H]-	439763
TAUROCHENODEOXYCHOLIC ACID	498.2894832	5.52	[M-H]-	387316
TAUROURSODEOXYCHOLIC ACID	498.2894832	5.286	[M-H]-	9848818
TAUROCHOLIC ACID	514.2843978	5.403	[M-H]-	6675
PHYTIC ACID	658.8540952	0.653	[M-H]-	890
STACHYOSE	665.2145824	0.88	[M-H]-	439531
GLUCOSE-1,2,3,4,5,6,6-D7	186.100024	0.817	[M-H]-	92043367
METHIONINE-METHYL-D3	151.062624	1.174	[M-H]-	15556503
LEUCINE-5,5,5-D3	133.106224	1.548	[M-H]-	11073472
TRYPTOPHAN-2,4,5,6,7-D5	208.114024	2.517	[M-H]-	12209747
N-BENZOYL-D5-GLYCINE	183.082324	2.333	[M-H]-	101624378
4-CHLORO-PHENYLALANINE	198.032724	3.368	[M-H]-	736190
4-BROMO-PHENYLALANINE	241.982224	3.626	[M-H]-	671214
INDOLE-2,4,5,6,7-D5-3-ACETIC ACID	179.087424	2.406	[M-H]-	54301591
D15-OCTANOIC ACID	158.201924	4.685	[M-H]-	13011402
D19-DECANOIC ACID	190.258324	5.389	[M-H]-	16213405
TRIDECANOIC ACID	213.186024	5.667	[M-H]-	12530
D27-TETRADECANOIC ACID	254.371124	5.749	[M-H]-	16212357
PHENYLALANINE-2,3,4,5,6-D5	169.103124	2.2	[M-H]-	13000992
4-HYDROXYPHENYL-D4-ALANINE	184.091724	1.32	[M-H]-	10419891
METABOLITES_END
#END